3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide

C21H27NO — CID 8018859

IUPAC3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C21H27NO/c1-14(2)10-18-6-8-19(9-7-18)17(5)22-21(23)20-12-15(3)11-16(4)13-20/h6-9,11-14,17H,10H2,1-5H3,(H,22,23)/t17-/m0/s1
InChIKeyCNIGPINQPIBSQP-KRWDZBQOSA-N
MW309.45 g/mol
LogP4.99
Rot. Bonds5

About 3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide

3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide (PubChem CID 8018859) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
PubChem CID8018859
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C21H27NO/c1-14(2)10-18-6-8-19(9-7-18)17(5)22-21(23)20-12-15(3)11-16(4)13-20/h6-9,11-14,17H,10H2,1-5H3,(H,22,23)/t17-/m0/s1
InChIKeyCNIGPINQPIBSQP-KRWDZBQOSA-N
XLogP4.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904
4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 46807135
5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide
CID 63525114
5,6-dichloro-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]pyridine-3-carboxamide
CID 7999529
2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 78905447
3,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 43100358
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-2-carboxamide
CID 8500551
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853877

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide (CID 8018859) is 3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide is Cc1cc(C)cc(C(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c1.
What is the InChIKey of 3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide?
The InChIKey is CNIGPINQPIBSQP-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27NO/c1-14(2)10-18-6-8-19(9-7-18)17(5)22-21(23)20-12-15(3)11-16(4)13-20/h6-9,11-14,17H,10H2,1-5H3,(H,22,23)/t17-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide?
3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide has a molecular weight of 309.45 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 8018859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).