N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide

C15H23N3O2 — CID 125145755

IUPACN-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NCC[C@H](C)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-12(14-6-4-3-5-7-14)8-9-17-15(20)18-11-10-16-13(2)19/h3-7,12H,8-11H2,1-2H3,(H,16,19)(H2,17,18,20)/t12-/m0/s1
InChIKeyMBVWGLVTCCTZQL-LBPRGKRZSA-N
MW277.37 g/mol
LogP1.62
Rot. Bonds7

About N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide

N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide (PubChem CID 125145755) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide
PubChem CID125145755
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NCC[C@H](C)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-12(14-6-4-3-5-7-14)8-9-17-15(20)18-11-10-16-13(2)19/h3-7,12H,8-11H2,1-2H3,(H,16,19)(H2,17,18,20)/t12-/m0/s1
InChIKeyMBVWGLVTCCTZQL-LBPRGKRZSA-N
XLogP1.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-(3-phenylbutyl)urea
CID 115600283
3-phenylbutyl N-(2-acetamidoethyl)carbamate
CID 6734518
N-(3-phenylbutyl)benzamide
CID 62403316
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
(2S)-3-hydroxy-2-(3-phenylbutylcarbamoylamino)propanoic acid
CID 62989102
N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
CID 28684616
1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51131161
6-oxo-6-(3-phenylbutylamino)hexanoic acid
CID 62987507
1-amino-N-(3-phenylbutyl)cyclopropane-1-carboxamide
CID 65464091
5-oxo-5-(3-phenylbutylamino)pentanoic acid
CID 62987506
N-(3-phenylbutyl)-2-sulfanylbenzamide
CID 107028920
bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
CID 175348879

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide (CID 125145755) is N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)NCC[C@H](C)c1ccccc1.
What is the InChIKey of N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide?
The InChIKey is MBVWGLVTCCTZQL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(14-6-4-3-5-7-14)8-9-17-15(20)18-11-10-16-13(2)19/h3-7,12H,8-11H2,1-2H3,(H,16,19)(H2,17,18,20)/t12-/m0/s1.
What are the key properties of N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide?
N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 125145755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).