2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid

C15H22N2O5 — CID 167221886

IUPAC2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid
SMILESCOc1cc(C(=O)O)c(NC(N)=O)cc1OCCCC(C)C
InChIInChI=1S/C15H22N2O5/c1-9(2)5-4-6-22-13-8-11(17-15(16)20)10(14(18)19)7-12(13)21-3/h7-9H,4-6H2,1-3H3,(H,18,19)(H3,16,17,20)
InChIKeyFEDNAPILATWSJA-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.70
Rot. Bonds8

About 2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid

2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid (PubChem CID 167221886) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid
PubChem CID167221886
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid
SMILESCOc1cc(C(=O)O)c(NC(N)=O)cc1OCCCC(C)C
InChIInChI=1S/C15H22N2O5/c1-9(2)5-4-6-22-13-8-11(17-15(16)20)10(14(18)19)7-12(13)21-3/h7-9H,4-6H2,1-3H3,(H,18,19)(H3,16,17,20)
InChIKeyFEDNAPILATWSJA-UHFFFAOYSA-N
XLogP2.70
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 61484296
2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid
CID 103870871
4,5-dimethoxy-2-(4-phenoxybutanoylamino)benzoic acid
CID 45428095
4,5-dimethoxy-2-(propan-2-ylcarbamoylamino)benzoic acid
CID 28737773
4-methoxy-5-octoxy-2-(prop-2-enoylamino)benzoic acid
CID 170331974
4-(5-bromopentoxy)-5-methoxy-2-(prop-2-enoxycarbonylamino)benzoic acid
CID 131977445
2-(4-aminobutanoylamino)-4,5-dimethoxybenzoic acid
CID 61157131
2-amino-4-methoxy-5-pentoxybenzoic acid
CID 43380063
2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride
CID 170985236
2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid
CID 141326742
2-[[2-(difluoromethoxy)benzoyl]amino]-4-ethoxy-5-methoxybenzoic acid
CID 8005134
5-[2-[4-carboxy-2-methoxy-5-(methylamino)phenoxy]ethyl]-4-chloro-2-(methylamino)benzoic acid
CID 162752140

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid?
The IUPAC name of 2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid (CID 167221886) is 2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid.
What is the SMILES notation for 2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid?
The canonical SMILES for 2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid is COc1cc(C(=O)O)c(NC(N)=O)cc1OCCCC(C)C.
What is the InChIKey of 2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid?
The InChIKey is FEDNAPILATWSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-9(2)5-4-6-22-13-8-11(17-15(16)20)10(14(18)19)7-12(13)21-3/h7-9H,4-6H2,1-3H3,(H,18,19)(H3,16,17,20).
What are the key properties of 2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid?
2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid has a molecular weight of 310.35 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid is sourced from PubChem (CID 167221886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).