(Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide

C15H20ClNO — CID 60553202

IUPAC(Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NC(CC)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO/c1-4-7-11(3)15(18)17-14(5-2)12-8-6-9-13(16)10-12/h6-10,14H,4-5H2,1-3H3,(H,17,18)/b11-7-
InChIKeyLKGUDRDZIPWNKW-XFFZJAGNSA-N
MW265.78 g/mol
LogP4.26
Rot. Bonds5

About (Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide

(Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide (PubChem CID 60553202) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is (Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide
PubChem CID60553202
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name(Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NC(CC)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO/c1-4-7-11(3)15(18)17-14(5-2)12-8-6-9-13(16)10-12/h6-10,14H,4-5H2,1-3H3,(H,17,18)/b11-7-
InChIKeyLKGUDRDZIPWNKW-XFFZJAGNSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
CID 81082683
3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
CID 134035215
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide
CID 62833393
3-amino-4-[1-(3-chlorophenyl)propylamino]-4-oxobutanoic acid
CID 64894322
2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide
CID 79796813
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide
CID 60849558
2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride
CID 119285536
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide (CID 60553202) is (Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NC(CC)c1cccc(Cl)c1.
What is the InChIKey of (Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide?
The InChIKey is LKGUDRDZIPWNKW-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-4-7-11(3)15(18)17-14(5-2)12-8-6-9-13(16)10-12/h6-10,14H,4-5H2,1-3H3,(H,17,18)/b11-7-.
What are the key properties of (Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide?
(Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide has a molecular weight of 265.78 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(3-chlorophenyl)propyl]-2-methylpent-2-enamide is sourced from PubChem (CID 60553202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).