N-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide

C19H27NO2 — CID 159962535

IUPACN-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H](CCc1ccccc1)C(=O)CCCC(C)C
InChIInChI=1S/C19H27NO2/c1-4-19(22)20-17(18(21)12-8-9-15(2)3)14-13-16-10-6-5-7-11-16/h4-7,10-11,15,17H,1,8-9,12-14H2,2-3H3,(H,20,22)/t17-/m0/s1
InChIKeyUXHNDILFWMQOGG-KRWDZBQOSA-N
MW301.43 g/mol
LogP3.69
Rot. Bonds10

About N-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide

N-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide (PubChem CID 159962535) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide
PubChem CID159962535
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide
SMILESC=CC(=O)N[C@@H](CCc1ccccc1)C(=O)CCCC(C)C
InChIInChI=1S/C19H27NO2/c1-4-19(22)20-17(18(21)12-8-9-15(2)3)14-13-16-10-6-5-7-11-16/h4-7,10-11,15,17H,1,8-9,12-14H2,2-3H3,(H,20,22)/t17-/m0/s1
InChIKeyUXHNDILFWMQOGG-KRWDZBQOSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.69
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,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
(3S)-3-methyl-1-phenylpentadecan-4-one
CID 158218990
(3S)-3-methyl-1-phenyltridecan-4-one
CID 157198847
methyl (2S)-2-[[(2S)-4-methyl-2-(prop-2-enoylamino)pentanoyl]amino]-3-phenylpropanoate
CID 101225931
2-methyl-4-phenylbutanoic acid
CID 66896591
(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide
CID 71457400
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2R)-2-methyl-N-[(2S)-6-methyl-3-oxo-1-phenylheptan-2-yl]-4-oxopentanamide
CID 165100579
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
ethene;3-methylbutylbenzene
CID 145421013
2-(heptanoylamino)-4-phenylbutanoic acid
CID 114916720
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide?
The IUPAC name of N-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide (CID 159962535) is N-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide.
What is the SMILES notation for N-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide?
The canonical SMILES for N-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide is C=CC(=O)N[C@@H](CCc1ccccc1)C(=O)CCCC(C)C.
What is the InChIKey of N-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide?
The InChIKey is UXHNDILFWMQOGG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27NO2/c1-4-19(22)20-17(18(21)12-8-9-15(2)3)14-13-16-10-6-5-7-11-16/h4-7,10-11,15,17H,1,8-9,12-14H2,2-3H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide?
N-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide has a molecular weight of 301.43 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-8-methyl-4-oxo-1-phenylnonan-3-yl]prop-2-enamide is sourced from PubChem (CID 159962535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).