tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate

C19H23N5O3 — CID 86619532

IUPACtert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1COCc2nc3c(N)nc4ccccc4c3n21
InChIInChI=1S/C19H23N5O3/c1-19(2,3)27-18(25)21-8-11-9-26-10-14-23-15-16(24(11)14)12-6-4-5-7-13(12)22-17(15)20/h4-7,11H,8-10H2,1-3H3,(H2,20,22)(H,21,25)/t11-/m0/s1
InChIKeyITSAESGURQGLFW-NSHDSACASA-N
MW369.43 g/mol
LogP2.76
Rot. Bonds2

About tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate

tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate (PubChem CID 86619532) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate
PubChem CID86619532
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Nametert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1COCc2nc3c(N)nc4ccccc4c3n21
InChIInChI=1S/C19H23N5O3/c1-19(2,3)27-18(25)21-8-11-9-26-10-14-23-15-16(24(11)14)12-6-4-5-7-13(12)22-17(15)20/h4-7,11H,8-10H2,1-3H3,(H2,20,22)(H,21,25)/t11-/m0/s1
InChIKeyITSAESGURQGLFW-NSHDSACASA-N
XLogP2.76
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl)propyl]morpholine-4-carboxamide
CID 76813304
(1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol
CID 58406179
2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 143258780
tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate
CID 164926492
tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate
CID 166933579
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzamide
CID 163032802
tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate
CID 66958962
N-[3-[(16S)-9-amino-14-methylsulfonyl-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]propyl]methanesulfonamide
CID 11641010
3-[(16S)-9-amino-16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-yl]-N,N-dimethylprop-2-enamide
CID 67156541
13,16-dimethyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 69194624

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate (CID 86619532) is tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1COCc2nc3c(N)nc4ccccc4c3n21.
What is the InChIKey of tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate?
The InChIKey is ITSAESGURQGLFW-NSHDSACASA-N. The full InChI is InChI=1S/C19H23N5O3/c1-19(2,3)27-18(25)21-8-11-9-26-10-14-23-15-16(24(11)14)12-6-4-5-7-13(12)22-17(15)20/h4-7,11H,8-10H2,1-3H3,(H2,20,22)(H,21,25)/t11-/m0/s1.
What are the key properties of tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate?
tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate has a molecular weight of 369.43 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(16S)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]methyl]carbamate is sourced from PubChem (CID 86619532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).