(Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide

C15H20N2O2 — CID 95289169

IUPAC(Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide
SMILESC/C(=C/C(=O)N[C@@H](C)C(N)=O)CCc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(8-9-13-6-4-3-5-7-13)10-14(18)17-12(2)15(16)19/h3-7,10,12H,8-9H2,1-2H3,(H2,16,19)(H,17,18)/b11-10-/t12-/m0/s1
InChIKeyNZDKYUSLRWECAR-WEHUKYGOSA-N
MW260.34 g/mol
LogP1.56
Rot. Bonds6

About (Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide

(Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide (PubChem CID 95289169) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide
PubChem CID95289169
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide
SMILESC/C(=C/C(=O)N[C@@H](C)C(N)=O)CCc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(8-9-13-6-4-3-5-7-13)10-14(18)17-12(2)15(16)19/h3-7,10,12H,8-9H2,1-2H3,(H2,16,19)(H,17,18)/b11-10-/t12-/m0/s1
InChIKeyNZDKYUSLRWECAR-WEHUKYGOSA-N
XLogP1.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide
CID 75364637
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286
(Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide
CID 75462488
(Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide
CID 110002498
4-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 22574938
N-(6-chloro-3-pyridinyl)-3-methyl-5-phenylpent-2-enamide
CID 72687029
(E)-4-methyl-6-phenylhex-3-enoic acid
CID 129195259
(Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide
CID 86876341
2-acetamido-4-phenylbutanamide
CID 67451841
2-(1,3-diphenylpropylamino)propanamide
CID 70078545
4-phenylbutan-2-one;prop-1-ene
CID 166128425

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide?
The IUPAC name of (Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide (CID 95289169) is (Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide.
What is the SMILES notation for (Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide?
The canonical SMILES for (Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide is C/C(=C/C(=O)N[C@@H](C)C(N)=O)CCc1ccccc1.
What is the InChIKey of (Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide?
The InChIKey is NZDKYUSLRWECAR-WEHUKYGOSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(8-9-13-6-4-3-5-7-13)10-14(18)17-12(2)15(16)19/h3-7,10,12H,8-9H2,1-2H3,(H2,16,19)(H,17,18)/b11-10-/t12-/m0/s1.
What are the key properties of (Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide?
(Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide has a molecular weight of 260.34 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide is sourced from PubChem (CID 95289169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).