[4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid

C18H24N2O4 — CID 69377556

IUPAC[4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid
SMILESC=C(C)C1CC(NC(=O)O)CCC1NC(=O)OCc1ccccc1
InChIInChI=1S/C18H24N2O4/c1-12(2)15-10-14(19-17(21)22)8-9-16(15)20-18(23)24-11-13-6-4-3-5-7-13/h3-7,14-16,19H,1,8-11H2,2H3,(H,20,23)(H,21,22)
InChIKeyWPROAZJWBXDFKA-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.29
Rot. Bonds5

About [4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid

[4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid (PubChem CID 69377556) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid
PubChem CID69377556
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid
SMILESC=C(C)C1CC(NC(=O)O)CCC1NC(=O)OCc1ccccc1
InChIInChI=1S/C18H24N2O4/c1-12(2)15-10-14(19-17(21)22)8-9-16(15)20-18(23)24-11-13-6-4-3-5-7-13/h3-7,14-16,19H,1,8-11H2,2H3,(H,20,23)(H,21,22)
InChIKeyWPROAZJWBXDFKA-UHFFFAOYSA-N
XLogP3.29
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
cis-methyl (1S,2R)-2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]cyclobutane-1-carboxylate
CID 101218865
methyl 3-oxo-3-[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutyl]propanoate
CID 169024438
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
ethyl (1R,2S,4S,5R)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 164669953

Frequently Asked Questions

What is the IUPAC name of [4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid?
The IUPAC name of [4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid (CID 69377556) is [4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid.
What is the SMILES notation for [4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid?
The canonical SMILES for [4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid is C=C(C)C1CC(NC(=O)O)CCC1NC(=O)OCc1ccccc1.
What is the InChIKey of [4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid?
The InChIKey is WPROAZJWBXDFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(2)15-10-14(19-17(21)22)8-9-16(15)20-18(23)24-11-13-6-4-3-5-7-13/h3-7,14-16,19H,1,8-11H2,2H3,(H,20,23)(H,21,22).
What are the key properties of [4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid?
[4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid has a molecular weight of 332.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylmethoxycarbonylamino)-3-prop-1-en-2-ylcyclohexyl]carbamic acid is sourced from PubChem (CID 69377556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).