N-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide

C20H26N2O — CID 130474115

IUPACN-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide
SMILESC/C=C1/C=CC(C[C@@H](NC(C)=O)c2cccc(C)c2)N/C1=C/C
InChIInChI=1S/C20H26N2O/c1-5-16-10-11-18(22-19(16)6-2)13-20(21-15(4)23)17-9-7-8-14(3)12-17/h5-12,18,20,22H,13H2,1-4H3,(H,21,23)/b16-5-,19-6+/t18?,20-/m1/s1
InChIKeyQMTCHLSLVCKMJW-UMKVGNIYSA-N
MW310.44 g/mol
LogP3.94
Rot. Bonds4

About N-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide

N-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide (PubChem CID 130474115) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide
PubChem CID130474115
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide
SMILESC/C=C1/C=CC(C[C@@H](NC(C)=O)c2cccc(C)c2)N/C1=C/C
InChIInChI=1S/C20H26N2O/c1-5-16-10-11-18(22-19(16)6-2)13-20(21-15(4)23)17-9-7-8-14(3)12-17/h5-12,18,20,22H,13H2,1-4H3,(H,21,23)/b16-5-,19-6+/t18?,20-/m1/s1
InChIKeyQMTCHLSLVCKMJW-UMKVGNIYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 89324001
3-acetamido-3-(3-methylphenyl)propanoic acid
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N-[(1S)-1-(3-methylphenyl)-2-nitroethyl]acetamide
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4-(methylamino)-4-(3-methylphenyl)butan-2-one
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N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide
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[2-cyclopropyl-1-(3-methylphenyl)ethyl]hydrazine
CID 105200606
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
3-(3-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 3730733
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81361527
(2-bromo-4-methylphenyl) 3-acetamido-3-phenylpropanoate
CID 24671734

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide?
The IUPAC name of N-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide (CID 130474115) is N-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide?
The canonical SMILES for N-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide is C/C=C1/C=CC(C[C@@H](NC(C)=O)c2cccc(C)c2)N/C1=C/C.
What is the InChIKey of N-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide?
The InChIKey is QMTCHLSLVCKMJW-UMKVGNIYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-5-16-10-11-18(22-19(16)6-2)13-20(21-15(4)23)17-9-7-8-14(3)12-17/h5-12,18,20,22H,13H2,1-4H3,(H,21,23)/b16-5-,19-6+/t18?,20-/m1/s1.
What are the key properties of N-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide?
N-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide has a molecular weight of 310.44 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[(5Z,6E)-5,6-di(ethylidene)-1,2-dihydropyridin-2-yl]-1-(3-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 130474115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).