(4-aminophenyl)-icosylcarbamic acid

C27H48N2O2 — CID 57279079

IUPAC(4-aminophenyl)-icosylcarbamic acid
SMILESCCCCCCCCCCCCCCCCCCCCN(C(=O)O)c1ccc(N)cc1
InChIInChI=1S/C27H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29(27(30)31)26-22-20-25(28)21-23-26/h20-23H,2-19,24,28H2,1H3,(H,30,31)
InChIKeyAPEWUOFGNKSDRF-UHFFFAOYSA-N
MW432.69 g/mol
LogP8.79
Rot. Bonds20

About (4-aminophenyl)-icosylcarbamic acid

(4-aminophenyl)-icosylcarbamic acid (PubChem CID 57279079) has the molecular formula C27H48N2O2 and a molecular weight of 432.69 g/mol. Its IUPAC name is (4-aminophenyl)-icosylcarbamic acid.

Molecular Properties

Compound Name(4-aminophenyl)-icosylcarbamic acid
PubChem CID57279079
Molecular FormulaC27H48N2O2
Molecular Weight432.69 g/mol
Exact Mass432.37
IUPAC Name(4-aminophenyl)-icosylcarbamic acid
SMILESCCCCCCCCCCCCCCCCCCCCN(C(=O)O)c1ccc(N)cc1
InChIInChI=1S/C27H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29(27(30)31)26-22-20-25(28)21-23-26/h20-23H,2-19,24,28H2,1H3,(H,30,31)
InChIKeyAPEWUOFGNKSDRF-UHFFFAOYSA-N
XLogP8.79
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.69
LogP ≤ 58.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

octyl(phenyl)carbamic acid
CID 54301990
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CID 143490838
4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine
CID 18942806
N-hexyl-N-phenylacetamide
CID 13217997
4-N-nonyl-4-N-propylbenzene-1,4-diamine
CID 63532780
4-amino-N,N-didodecylbenzamide
CID 5077826
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
N-(4-methylphenyl)-N-octylcarbamate
CID 57360038
2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
CID 119679254
1,3-bis[4-(hydroxymethyl)phenyl]-1,3-dipentylurea
CID 129120364
N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide
CID 168861521
(4-aminophenyl)-benzylcarbamic acid
CID 69046621

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-icosylcarbamic acid?
The IUPAC name of (4-aminophenyl)-icosylcarbamic acid (CID 57279079) is (4-aminophenyl)-icosylcarbamic acid.
What is the SMILES notation for (4-aminophenyl)-icosylcarbamic acid?
The canonical SMILES for (4-aminophenyl)-icosylcarbamic acid is CCCCCCCCCCCCCCCCCCCCN(C(=O)O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)-icosylcarbamic acid?
The InChIKey is APEWUOFGNKSDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29(27(30)31)26-22-20-25(28)21-23-26/h20-23H,2-19,24,28H2,1H3,(H,30,31).
What are the key properties of (4-aminophenyl)-icosylcarbamic acid?
(4-aminophenyl)-icosylcarbamic acid has a molecular weight of 432.69 g/mol, XLogP of 8.79, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-icosylcarbamic acid is sourced from PubChem (CID 57279079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).