N-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane

C23H40ClNO — CID 143873570

IUPACN-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane
SMILESCC.CCC(C)CC(=O)NC(CC(C)C)C(C)(CC)c1ccc(Cl)cc1
InChIInChI=1S/C21H34ClNO.C2H6/c1-7-16(5)14-20(24)23-19(13-15(3)4)21(6,8-2)17-9-11-18(22)12-10-17;1-2/h9-12,15-16,19H,7-8,13-14H2,1-6H3,(H,23,24);1-2H3
InChIKeyPZCYUSJODZVQAH-UHFFFAOYSA-N
MW382.03 g/mol
LogP7.00
Rot. Bonds9

About N-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane

N-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane (PubChem CID 143873570) has the molecular formula C23H40ClNO and a molecular weight of 382.03 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane
PubChem CID143873570
Molecular FormulaC23H40ClNO
Molecular Weight382.03 g/mol
Exact Mass381.28
IUPAC NameN-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane
SMILESCC.CCC(C)CC(=O)NC(CC(C)C)C(C)(CC)c1ccc(Cl)cc1
InChIInChI=1S/C21H34ClNO.C2H6/c1-7-16(5)14-20(24)23-19(13-15(3)4)21(6,8-2)17-9-11-18(22)12-10-17;1-2/h9-12,15-16,19H,7-8,13-14H2,1-6H3,(H,23,24);1-2H3
InChIKeyPZCYUSJODZVQAH-UHFFFAOYSA-N
XLogP7.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.03
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide
CID 114876936
(2S)-2-[[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694411
methyl 4-methyl-2-(3-methylpentanoylamino)pentanoate
CID 114875725
5-(4-chlorophenyl)-N,N,2,5-tetramethyloctan-4-amine
CID 142076103
N-(1-bromopropan-2-yl)-3-methylpentanamide
CID 114876990
(2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid
CID 107314468
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384
(3S)-3-(4-chlorophenyl)-4-ethyl-3-methylhexan-2-one
CID 142471555
(2S)-2-[[2-(4-chlorophenyl)-2-ethylbutanoyl]amino]propanoic acid
CID 119238087
(2R)-2-[[2-(4-chlorophenyl)-2-ethylbutanoyl]amino]propanoic acid
CID 119244030
(4-chlorophenyl)methyl 3-methylpentanoate
CID 102077326
N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide
CID 105058924

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane?
The IUPAC name of N-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane (CID 143873570) is N-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane.
What is the SMILES notation for N-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane?
The canonical SMILES for N-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane is CC.CCC(C)CC(=O)NC(CC(C)C)C(C)(CC)c1ccc(Cl)cc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane?
The InChIKey is PZCYUSJODZVQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34ClNO.C2H6/c1-7-16(5)14-20(24)23-19(13-15(3)4)21(6,8-2)17-9-11-18(22)12-10-17;1-2/h9-12,15-16,19H,7-8,13-14H2,1-6H3,(H,23,24);1-2H3.
What are the key properties of N-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane?
N-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane has a molecular weight of 382.03 g/mol, XLogP of 7.00, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-2,5-dimethylheptan-4-yl]-3-methylpentanamide;ethane is sourced from PubChem (CID 143873570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).