N-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide

C19H26N2O2 — CID 166420336

IUPACN-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(CC(=O)N(CCC)C2CCCC2)c1
InChIInChI=1S/C19H26N2O2/c1-3-12-21(17-10-5-6-11-17)19(23)14-15-8-7-9-16(13-15)20-18(22)4-2/h4,7-9,13,17H,2-3,5-6,10-12,14H2,1H3,(H,20,22)
InChIKeyBYXWWZKTDFMZRS-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.53
Rot. Bonds7

About N-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide

N-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 166420336) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID166420336
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(CC(=O)N(CCC)C2CCCC2)c1
InChIInChI=1S/C19H26N2O2/c1-3-12-21(17-10-5-6-11-17)19(23)14-15-8-7-9-16(13-15)20-18(22)4-2/h4,7-9,13,17H,2-3,5-6,10-12,14H2,1H3,(H,20,22)
InChIKeyBYXWWZKTDFMZRS-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide (CID 166420336) is N-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(CC(=O)N(CCC)C2CCCC2)c1.
What is the InChIKey of N-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is BYXWWZKTDFMZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-12-21(17-10-5-6-11-17)19(23)14-15-8-7-9-16(13-15)20-18(22)4-2/h4,7-9,13,17H,2-3,5-6,10-12,14H2,1H3,(H,20,22).
What are the key properties of N-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
N-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 314.43 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[cyclopentyl(propyl)amino]-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166420336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).