tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate

C19H26N4O3 — CID 46533040

IUPACtert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate
SMILESCn1ccnc1C(NC(=O)CCNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H26N4O3/c1-19(2,3)26-18(25)21-11-10-15(24)22-16(14-8-6-5-7-9-14)17-20-12-13-23(17)4/h5-9,12-13,16H,10-11H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyNEHGCVIPJWMQIS-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.54
Rot. Bonds6

About tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate

tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate (PubChem CID 46533040) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate
PubChem CID46533040
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Nametert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate
SMILESCn1ccnc1C(NC(=O)CCNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H26N4O3/c1-19(2,3)26-18(25)21-11-10-15(24)22-16(14-8-6-5-7-9-14)17-20-12-13-23(17)4/h5-9,12-13,16H,10-11H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyNEHGCVIPJWMQIS-UHFFFAOYSA-N
XLogP2.54
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]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

3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55533026
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylpropanamide
CID 52521676
4-(azepan-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 90652611
2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
CID 110429248
2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
CID 79349483
3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 115426635
N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide
CID 46650550
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate (CID 46533040) is tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate is Cn1ccnc1C(NC(=O)CCNC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate?
The InChIKey is NEHGCVIPJWMQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-19(2,3)26-18(25)21-11-10-15(24)22-16(14-8-6-5-7-9-14)17-20-12-13-23(17)4/h5-9,12-13,16H,10-11H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate has a molecular weight of 358.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 46533040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).