ethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate

C16H24N2O3 — CID 155525412

IUPACethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate
SMILESCCOC(=O)NCCC(=O)NCCCCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-2-21-16(20)18-13-11-15(19)17-12-7-6-10-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,17,19)(H,18,20)
InChIKeySWHATJDJPBEDRU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.26
Rot. Bonds9

About ethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate

ethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate (PubChem CID 155525412) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate
PubChem CID155525412
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate
SMILESCCOC(=O)NCCC(=O)NCCCCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-2-21-16(20)18-13-11-15(19)17-12-7-6-10-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,17,19)(H,18,20)
InChIKeySWHATJDJPBEDRU-UHFFFAOYSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Santacruzamate A
CID 72946782
N-(2-Phenylethyl)propanamide
CID 94894
N-(2-Phenylethyl)-isobutyramide
CID 290550
ethyl N-(2-phenylethyl)carbamate
CID 247630
Ethyl 4-[(phenylacetyl)amino]piperidine-1-carboxylate
CID 5127120
2-methyl-N-(3-phenylpropyl)propanamide
CID 2906692
N,N'-Diphenethyl-malonamide
CID 2404841
3-(Dimethylamino)butyl 3-phenylpropylcarbamate
CID 44570057
{4-Oxo-4-[4-(3-phenyl-propyl)-piperazin-1-yl]-butyl}-carbamic acid tert-butyl ester
CID 10691769
Ethyl 4-[(3-phenylpropanoyl)amino]piperidine-1-carboxylate
CID 4566793
N1-hydroxy-2-isobutyl-N3-(3-phenylpropyl)malonamide
CID 10851204
n-(2-Phenylethyl)butanamide
CID 221995

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate?
The IUPAC name of ethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate (CID 155525412) is ethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate.
What is the SMILES notation for ethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate?
The canonical SMILES for ethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate is CCOC(=O)NCCC(=O)NCCCCc1ccccc1.
What is the InChIKey of ethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate?
The InChIKey is SWHATJDJPBEDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-21-16(20)18-13-11-15(19)17-12-7-6-10-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,17,19)(H,18,20).
What are the key properties of ethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate?
ethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-oxo-3-(4-phenylbutylamino)propyl]carbamate is sourced from PubChem (CID 155525412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).