(2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide

C16H23NO — CID 134922582

IUPAC(2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide
SMILESC=C[C@H](c1ccccc1)[C@@H](C)C(=O)N(CC)CC
InChIInChI=1S/C16H23NO/c1-5-15(14-11-9-8-10-12-14)13(4)16(18)17(6-2)7-3/h5,8-13,15H,1,6-7H2,2-4H3/t13-,15+/m1/s1
InChIKeyLVFZEVOFOYPMAN-HIFRSBDPSA-N
MW245.37 g/mol
LogP3.46
Rot. Bonds6

About (2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide

(2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide (PubChem CID 134922582) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide.

Molecular Properties

Compound Name(2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide
PubChem CID134922582
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide
SMILESC=C[C@H](c1ccccc1)[C@@H](C)C(=O)N(CC)CC
InChIInChI=1S/C16H23NO/c1-5-15(14-11-9-8-10-12-14)13(4)16(18)17(6-2)7-3/h5,8-13,15H,1,6-7H2,2-4H3/t13-,15+/m1/s1
InChIKeyLVFZEVOFOYPMAN-HIFRSBDPSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N,2-trimethyl-3-phenylpent-4-enamide
CID 132648038
(2S)-2-methyl-3-phenylpent-4-enoic acid
CID 70506498
N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide
CID 118204481
(2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide
CID 118204661
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
CID 81426075
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 80552219

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide?
The IUPAC name of (2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide (CID 134922582) is (2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide.
What is the SMILES notation for (2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide?
The canonical SMILES for (2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide is C=C[C@H](c1ccccc1)[C@@H](C)C(=O)N(CC)CC.
What is the InChIKey of (2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide?
The InChIKey is LVFZEVOFOYPMAN-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-15(14-11-9-8-10-12-14)13(4)16(18)17(6-2)7-3/h5,8-13,15H,1,6-7H2,2-4H3/t13-,15+/m1/s1.
What are the key properties of (2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide?
(2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide has a molecular weight of 245.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide is sourced from PubChem (CID 134922582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).