(Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide

C17H21N3O — CID 108835088

IUPAC(Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C/NC1CCCC1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H21N3O/c18-12-15(13-20-16-8-4-5-9-16)17(21)19-11-10-14-6-2-1-3-7-14/h1-3,6-7,13,16,20H,4-5,8-11H2,(H,19,21)/b15-13-
InChIKeyOWDSBHQFWXOFJP-SQFISAMPSA-N
MW283.37 g/mol
LogP2.28
Rot. Bonds6

About (Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide

(Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 108835088) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is (Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide
PubChem CID108835088
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name(Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C/NC1CCCC1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H21N3O/c18-12-15(13-20-16-8-4-5-9-16)17(21)19-11-10-14-6-2-1-3-7-14/h1-3,6-7,13,16,20H,4-5,8-11H2,(H,19,21)/b15-13-
InChIKeyOWDSBHQFWXOFJP-SQFISAMPSA-N
XLogP2.28
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-[(1,1-dioxothiolan-3-yl)amino]-N-(2-phenylethyl)prop-2-enamide
CID 108835234
(Z)-3-[(1-benzylpiperidin-4-yl)amino]-2-cyano-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 108839061
(Z)-N-(2-chloroethyl)-2-cyano-3-(cycloheptylamino)prop-2-enamide
CID 108854608
(Z)-3-(2-chloroethylamino)-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 108835137
(Z)-N-(3-chloropropyl)-2-cyano-3-(cyclododecylamino)prop-2-enamide
CID 108854107
(Z)-2-cyano-3-(cyclopropylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 108836409
2-[[(Z)-2-cyano-3-(cycloheptylamino)prop-2-enoyl]amino]acetic acid
CID 108844174
(Z)-2-cyano-3-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)prop-2-enamide
CID 108835304
(Z)-2-cyano-3-(2-ethylpiperidin-1-yl)-N-(2-phenylethyl)prop-2-enamide
CID 108835203
3-[[(Z)-2-cyano-3-(2-phenylethylamino)prop-2-enoyl]amino]propanoic acid
CID 108817592
(Z)-2-cyano-3-(2,6-diethylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 108835124
(E)-2-cyano-3-(3,5-dimethylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 7459702

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide (CID 108835088) is (Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide is N#C/C(=C/NC1CCCC1)C(=O)NCCc1ccccc1.
What is the InChIKey of (Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is OWDSBHQFWXOFJP-SQFISAMPSA-N. The full InChI is InChI=1S/C17H21N3O/c18-12-15(13-20-16-8-4-5-9-16)17(21)19-11-10-14-6-2-1-3-7-14/h1-3,6-7,13,16,20H,4-5,8-11H2,(H,19,21)/b15-13-.
What are the key properties of (Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide?
(Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 283.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(cyclopentylamino)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 108835088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).