6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid

C14H19N3O4 — CID 61185640

IUPAC6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
SMILESNC(=O)c1ccc(NC(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C14H19N3O4/c15-13(20)10-5-7-11(8-6-10)17-14(21)16-9-3-1-2-4-12(18)19/h5-8H,1-4,9H2,(H2,15,20)(H,18,19)(H2,16,17,21)
InChIKeyCMCMCOSPQWMKAF-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.55
Rot. Bonds8

About 6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid

6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid (PubChem CID 61185640) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
PubChem CID61185640
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
SMILESNC(=O)c1ccc(NC(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C14H19N3O4/c15-13(20)10-5-7-11(8-6-10)17-14(21)16-9-3-1-2-4-12(18)19/h5-8H,1-4,9H2,(H2,15,20)(H,18,19)(H2,16,17,21)
InChIKeyCMCMCOSPQWMKAF-UHFFFAOYSA-N
XLogP1.55
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-bromophenyl)carbamoylamino]heptanoic acid
CID 61190824
7-[(4-fluorophenyl)carbamoylamino]heptanoic acid
CID 24689965
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997
6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
CID 61189525
4-[(4-acetylphenyl)carbamoylamino]butanoic acid
CID 28511845
6-[(4-cyanophenyl)carbamoylamino]hexanoic acid
CID 16788289
6-[(3,4-dimethylphenyl)carbamoylamino]hexanoic acid
CID 61190966
6-[(4-pyrrol-1-ylphenyl)carbamoylamino]hexanoic acid
CID 108886670
15-[(3,4-difluorophenyl)carbamoylamino]pentadecanoic acid
CID 148926172
2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463712
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
4-[(4-iodophenyl)carbamoylamino]butanoic acid
CID 61185530

Frequently Asked Questions

What is the IUPAC name of 6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid?
The IUPAC name of 6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid (CID 61185640) is 6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid is NC(=O)c1ccc(NC(=O)NCCCCCC(=O)O)cc1.
What is the InChIKey of 6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid?
The InChIKey is CMCMCOSPQWMKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c15-13(20)10-5-7-11(8-6-10)17-14(21)16-9-3-1-2-4-12(18)19/h5-8H,1-4,9H2,(H2,15,20)(H,18,19)(H2,16,17,21).
What are the key properties of 6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid?
6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.55, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 61185640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).