[[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate

C24H23N3O4 — CID 174545756

IUPAC[[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate
SMILESCCC(=O)ONC(=O)c1cc2ccccc2cc1NC(=O)Nc1ccc(C2CC2)cc1
InChIInChI=1S/C24H23N3O4/c1-2-22(28)31-27-23(29)20-13-17-5-3-4-6-18(17)14-21(20)26-24(30)25-19-11-9-16(10-12-19)15-7-8-15/h3-6,9-15H,2,7-8H2,1H3,(H,27,29)(H2,25,26,30)
InChIKeyIBJGWOSSYVLZGI-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.96
Rot. Bonds5

About [[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate

[[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate (PubChem CID 174545756) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is [[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate.

Molecular Properties

Compound Name[[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate
PubChem CID174545756
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name[[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate
SMILESCCC(=O)ONC(=O)c1cc2ccccc2cc1NC(=O)Nc1ccc(C2CC2)cc1
InChIInChI=1S/C24H23N3O4/c1-2-22(28)31-27-23(29)20-13-17-5-3-4-6-18(17)14-21(20)26-24(30)25-19-11-9-16(10-12-19)15-7-8-15/h3-6,9-15H,2,7-8H2,1H3,(H,27,29)(H2,25,26,30)
InChIKeyIBJGWOSSYVLZGI-UHFFFAOYSA-N
XLogP4.96
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-methoxyphenyl)carbamoylamino] propanoate
CID 57108481
methyl (2S)-2-[[3-[(4-butylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate
CID 90700745
1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea
CID 6422539
cyclohexyl 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetate
CID 91141656
N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide
CID 58994763
4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid
CID 59278786
3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide
CID 141145857
N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide
CID 119047540
1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea
CID 143736831
1-[[3-[(4-phenylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 57423575
1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 71072413
3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide
CID 110886656

Frequently Asked Questions

What is the IUPAC name of [[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate?
The IUPAC name of [[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate (CID 174545756) is [[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate.
What is the SMILES notation for [[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate?
The canonical SMILES for [[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate is CCC(=O)ONC(=O)c1cc2ccccc2cc1NC(=O)Nc1ccc(C2CC2)cc1.
What is the InChIKey of [[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate?
The InChIKey is IBJGWOSSYVLZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-2-22(28)31-27-23(29)20-13-17-5-3-4-6-18(17)14-21(20)26-24(30)25-19-11-9-16(10-12-19)15-7-8-15/h3-6,9-15H,2,7-8H2,1H3,(H,27,29)(H2,25,26,30).
What are the key properties of [[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate?
[[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate has a molecular weight of 417.47 g/mol, XLogP of 4.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-[(4-cyclopropylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino] propanoate is sourced from PubChem (CID 174545756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).