[3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid

C15H22N2O3 — CID 67296625

IUPAC[3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid
SMILESCCCCCNc1cccc(C(=O)CCNC(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-2-3-4-9-16-13-7-5-6-12(11-13)14(18)8-10-17-15(19)20/h5-7,11,16-17H,2-4,8-10H2,1H3,(H,19,20)
InChIKeyNSCWLNWFZMDGJH-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.13
Rot. Bonds9

About [3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid

[3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid (PubChem CID 67296625) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid.

Molecular Properties

Compound Name[3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid
PubChem CID67296625
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid
SMILESCCCCCNc1cccc(C(=O)CCNC(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-2-3-4-9-16-13-7-5-6-12(11-13)14(18)8-10-17-15(19)20/h5-7,11,16-17H,2-4,8-10H2,1H3,(H,19,20)
InChIKeyNSCWLNWFZMDGJH-UHFFFAOYSA-N
XLogP3.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(octylamino)benzamide
CID 43130223
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
tert-butyl N-[3-[3-(butylsulfinylamino)phenyl]-3-oxopropyl]carbamate
CID 141261325
[4-(3-fluorophenyl)-4-oxobutyl]carbamic acid
CID 151142544
ethyl 6-(3-carbamoylanilino)hexanoate
CID 107808980
N-[3-(octylamino)phenyl]propanamide
CID 43130255
3-bromo-N-octylaniline
CID 43129310
butyl 3-(4-aminobutylamino)benzoate
CID 117097372
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
3-(5-hydroxypentylamino)benzoic acid
CID 107319684
1-N-methyl-3-N-pentylbenzene-1,3-diamine
CID 117027123
3-methyl-N-[4-(pentylamino)phenyl]benzamide
CID 112985190

Frequently Asked Questions

What is the IUPAC name of [3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid?
The IUPAC name of [3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid (CID 67296625) is [3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid.
What is the SMILES notation for [3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid?
The canonical SMILES for [3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid is CCCCCNc1cccc(C(=O)CCNC(=O)O)c1.
What is the InChIKey of [3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid?
The InChIKey is NSCWLNWFZMDGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-3-4-9-16-13-7-5-6-12(11-13)14(18)8-10-17-15(19)20/h5-7,11,16-17H,2-4,8-10H2,1H3,(H,19,20).
What are the key properties of [3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid?
[3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid has a molecular weight of 278.35 g/mol, XLogP of 3.13, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid is sourced from PubChem (CID 67296625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).