benzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate

C24H25N3O3 — CID 44765105

IUPACbenzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate
SMILESO=C(CCCNC(=O)OCc1ccccc1)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C24H25N3O3/c28-22(12-7-15-26-24(29)30-18-19-8-3-1-4-9-19)27-23(20-10-5-2-6-11-20)21-13-16-25-17-14-21/h1-6,8-11,13-14,16-17,23H,7,12,15,18H2,(H,26,29)(H,27,28)
InChIKeyYWGNCEKLAGXWKU-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.99
Rot. Bonds9

About benzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate

benzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate (PubChem CID 44765105) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is benzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate
PubChem CID44765105
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Namebenzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate
SMILESO=C(CCCNC(=O)OCc1ccccc1)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C24H25N3O3/c28-22(12-7-15-26-24(29)30-18-19-8-3-1-4-9-19)27-23(20-10-5-2-6-11-20)21-13-16-25-17-14-21/h1-6,8-11,13-14,16-17,23H,7,12,15,18H2,(H,26,29)(H,27,28)
InChIKeyYWGNCEKLAGXWKU-UHFFFAOYSA-N
XLogP3.99
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]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

4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride
CID 119854176
benzyl N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]carbamate
CID 78896816
2-(benzhydrylcarbamoylamino)-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 57147486
benzyl N-[2-(benzhydrylamino)ethyl]carbamate
CID 139788577
benzyl N-(3-aminopropyl)carbamate;hydron;chloride
CID 44828785
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]carbamate
CID 55837379
benzyl N-[1-(dipyridin-4-ylmethylamino)-3-[[(2R)-3-(dipyridin-4-ylmethylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamate
CID 54516732
benzyl N-[6-[ethyl(pyridin-4-ylmethyl)amino]hexyl]carbamate
CID 23625663
benzyl N-[4-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-4-oxobutyl]carbamate
CID 55939947
benzyl N-(5-diazo-4-oxopentyl)carbamate
CID 85177613

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate?
The IUPAC name of benzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate (CID 44765105) is benzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate.
What is the SMILES notation for benzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate?
The canonical SMILES for benzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate is O=C(CCCNC(=O)OCc1ccccc1)NC(c1ccccc1)c1ccncc1.
What is the InChIKey of benzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate?
The InChIKey is YWGNCEKLAGXWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-22(12-7-15-26-24(29)30-18-19-8-3-1-4-9-19)27-23(20-10-5-2-6-11-20)21-13-16-25-17-14-21/h1-6,8-11,13-14,16-17,23H,7,12,15,18H2,(H,26,29)(H,27,28).
What are the key properties of benzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate?
benzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate has a molecular weight of 403.48 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-oxo-4-[[phenyl(pyridin-4-yl)methyl]amino]butyl]carbamate is sourced from PubChem (CID 44765105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).