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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Related Compounds

N-[3-[2-[(4-cyanophenyl)methyl-cyclopropylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421754
N-[3-[2-[2,2-difluoroethyl(oxetan-3-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421652
N-[3-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420345
N-[3-[2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421738
tert-butyl 2-[acetyl-[1-[2-[3-(prop-2-enoylamino)phenyl]acetyl]azepan-4-yl]amino]acetate
CID 166421636
N-[3-(cyclohexylsulfinylmethyl)phenyl]prop-2-enamide
CID 166405123
N-[3-[2-[butyl-[(3-cyanophenyl)methyl]amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421623
N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide
CID 167861171
N-(2-aminoethyl)-N-cyclopentyl-2-(3-methylphenyl)acetamide
CID 63754808
N-propan-2-yl-1-[[2-[3-(prop-2-enoylamino)phenyl]acetyl]amino]cyclohexane-1-carboxamide
CID 166421657
N-cyclopentyl-N-ethyl-2-(3-fluorophenyl)acetamide
CID 86926971
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide
CID 66182884

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).