methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate

C24H26N4O3 — CID 135256361

IUPACmethyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N)c1cc-2c2ccccc2n1
InChIInChI=1S/C24H26N4O3/c1-14-6-5-8-19(25)22-13-18(16-7-3-4-9-20(16)27-22)17-11-10-15(26-24(30)31-2)12-21(17)28-23(14)29/h3-4,7,9-14,19H,5-6,8,25H2,1-2H3,(H,26,30)(H,28,29)/t14-,19+/m1/s1
InChIKeyJBFJZDKWZAKSJR-KUHUBIRLSA-N
MW418.50 g/mol
LogP4.84
Rot. Bonds1

About methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate

methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate (PubChem CID 135256361) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate
PubChem CID135256361
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Namemethyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N)c1cc-2c2ccccc2n1
InChIInChI=1S/C24H26N4O3/c1-14-6-5-8-19(25)22-13-18(16-7-3-4-9-20(16)27-22)17-11-10-15(26-24(30)31-2)12-21(17)28-23(14)29/h3-4,7,9-14,19H,5-6,8,25H2,1-2H3,(H,26,30)(H,28,29)/t14-,19+/m1/s1
InChIKeyJBFJZDKWZAKSJR-KUHUBIRLSA-N
XLogP4.84
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate?
The IUPAC name of methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate (CID 135256361) is methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate.
What is the SMILES notation for methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate?
The canonical SMILES for methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate is COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N)c1cc-2c2ccccc2n1.
What is the InChIKey of methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate?
The InChIKey is JBFJZDKWZAKSJR-KUHUBIRLSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-14-6-5-8-19(25)22-13-18(16-7-3-4-9-20(16)27-22)17-11-10-15(26-24(30)31-2)12-21(17)28-23(14)29/h3-4,7,9-14,19H,5-6,8,25H2,1-2H3,(H,26,30)(H,28,29)/t14-,19+/m1/s1.
What are the key properties of methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate?
methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate has a molecular weight of 418.50 g/mol, XLogP of 4.84, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-5-yl]carbamate is sourced from PubChem (CID 135256361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).