carbamoyl-(4-nonylphenyl)carbamic acid

C17H26N2O3 — CID 18988894

IUPACcarbamoyl-(4-nonylphenyl)carbamic acid
SMILESCCCCCCCCCc1ccc(N(C(N)=O)C(=O)O)cc1
InChIInChI=1S/C17H26N2O3/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)19(16(18)20)17(21)22/h10-13H,2-9H2,1H3,(H2,18,20)(H,21,22)
InChIKeyXWNLIHPONBUYRB-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.54
Rot. Bonds9

About carbamoyl-(4-nonylphenyl)carbamic acid

carbamoyl-(4-nonylphenyl)carbamic acid (PubChem CID 18988894) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is carbamoyl-(4-nonylphenyl)carbamic acid.

Molecular Properties

Compound Namecarbamoyl-(4-nonylphenyl)carbamic acid
PubChem CID18988894
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namecarbamoyl-(4-nonylphenyl)carbamic acid
SMILESCCCCCCCCCc1ccc(N(C(N)=O)C(=O)O)cc1
InChIInChI=1S/C17H26N2O3/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)19(16(18)20)17(21)22/h10-13H,2-9H2,1H3,(H2,18,20)(H,21,22)
InChIKeyXWNLIHPONBUYRB-UHFFFAOYSA-N
XLogP4.54
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(carboxymethyl)-4-decylanilino]acetic acid
CID 154356401
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
1-docosyl-1-[3-(4-hydroxyphenyl)propyl]urea
CID 70039834
2-(4-dodecyl-N-ethylanilino)acetic acid
CID 139931897
4-octylbenzamide;hydrochloride
CID 131740255
4-octadecyl-N,N-diphenylaniline
CID 162035815
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221
4-heptyl-N,N-dimethylaniline
CID 20777180
1-butyl-4-nonylbenzene
CID 59545302
4-heptyl-N,N-bis(phosphanyl)aniline
CID 169286189
N,N-dichloro-4-hexylaniline
CID 87850897

Frequently Asked Questions

What is the IUPAC name of carbamoyl-(4-nonylphenyl)carbamic acid?
The IUPAC name of carbamoyl-(4-nonylphenyl)carbamic acid (CID 18988894) is carbamoyl-(4-nonylphenyl)carbamic acid.
What is the SMILES notation for carbamoyl-(4-nonylphenyl)carbamic acid?
The canonical SMILES for carbamoyl-(4-nonylphenyl)carbamic acid is CCCCCCCCCc1ccc(N(C(N)=O)C(=O)O)cc1.
What is the InChIKey of carbamoyl-(4-nonylphenyl)carbamic acid?
The InChIKey is XWNLIHPONBUYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)19(16(18)20)17(21)22/h10-13H,2-9H2,1H3,(H2,18,20)(H,21,22).
What are the key properties of carbamoyl-(4-nonylphenyl)carbamic acid?
carbamoyl-(4-nonylphenyl)carbamic acid has a molecular weight of 306.41 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl-(4-nonylphenyl)carbamic acid is sourced from PubChem (CID 18988894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).