2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid

C30H35N3O4 — CID 69434457

IUPAC2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid
SMILESCCc1cccc(CC)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N(CC(=O)O)C1CCCCC1
InChIInChI=1S/C30H35N3O4/c1-3-20-13-10-14-21(4-2)28(20)32-30(37)31-26-18-23-12-9-8-11-22(23)17-25(26)29(36)33(19-27(34)35)24-15-6-5-7-16-24/h8-14,17-18,24H,3-7,15-16,19H2,1-2H3,(H,34,35)(H2,31,32,37)
InChIKeyMTLNYHCKBSYBDR-UHFFFAOYSA-N
MW501.63 g/mol
LogP6.47
Rot. Bonds8

About 2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid

2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid (PubChem CID 69434457) has the molecular formula C30H35N3O4 and a molecular weight of 501.63 g/mol. Its IUPAC name is 2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid
PubChem CID69434457
Molecular FormulaC30H35N3O4
Molecular Weight501.63 g/mol
Exact Mass501.26
IUPAC Name2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid
SMILESCCc1cccc(CC)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N(CC(=O)O)C1CCCCC1
InChIInChI=1S/C30H35N3O4/c1-3-20-13-10-14-21(4-2)28(20)32-30(37)31-26-18-23-12-9-8-11-22(23)17-25(26)29(36)33(19-27(34)35)24-15-6-5-7-16-24/h8-14,17-18,24H,3-7,15-16,19H2,1-2H3,(H,34,35)(H2,31,32,37)
InChIKeyMTLNYHCKBSYBDR-UHFFFAOYSA-N
XLogP6.47
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 56.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[cyclohexyl-[3-[(2,4-dichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid
CID 143228877
2-[cyclohexyl-[2-[(2,6-dimethylphenyl)carbamoylamino]-4-phenylbenzoyl]amino]acetic acid
CID 69433969
3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide
CID 141145857
2-[cyclohexyl-[5-phenyl-3-[(2,4,6-trimethylphenyl)carbamoylamino]pyridine-2-carbonyl]amino]acetic acid
CID 69435486
2-[[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]-2-phenylacetic acid
CID 58994832
cyclohexyl 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetate
CID 91141656
2-[cyclohexyl-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-2-[(2,4,6-trimethylphenyl)carbamoylamino]benzoyl]amino]acetic acid
CID 69435979
2-[cyclohexyl-[3-[(2,6-dichlorophenyl)carbamoylamino]-5-pyridin-4-ylthiophene-2-carbonyl]amino]acetic acid
CID 69435943
3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid
CID 16777345
2-[cyclopentyl-[2-(2-methylphenyl)acetyl]amino]acetic acid
CID 60827106
2-[acetyl(cyclohexyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113159510
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid (CID 69434457) is 2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid is CCc1cccc(CC)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N(CC(=O)O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid?
The InChIKey is MTLNYHCKBSYBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4/c1-3-20-13-10-14-21(4-2)28(20)32-30(37)31-26-18-23-12-9-8-11-22(23)17-25(26)29(36)33(19-27(34)35)24-15-6-5-7-16-24/h8-14,17-18,24H,3-7,15-16,19H2,1-2H3,(H,34,35)(H2,31,32,37).
What are the key properties of 2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid?
2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid has a molecular weight of 501.63 g/mol, XLogP of 6.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 69434457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).