N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide

C21H25NO2 — CID 52535085

IUPACN-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide
SMILESCOc1ccc(N(C(=O)c2ccc(C)c(C)c2)[C@H](C)C2CC2)cc1
InChIInChI=1S/C21H25NO2/c1-14-5-6-18(13-15(14)2)21(23)22(16(3)17-7-8-17)19-9-11-20(24-4)12-10-19/h5-6,9-13,16-17H,7-8H2,1-4H3/t16-/m1/s1
InChIKeyKEFOCRBITVFSDX-MRXNPFEDSA-N
MW323.44 g/mol
LogP4.76
Rot. Bonds5

About N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide

N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide (PubChem CID 52535085) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide
PubChem CID52535085
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide
SMILESCOc1ccc(N(C(=O)c2ccc(C)c(C)c2)[C@H](C)C2CC2)cc1
InChIInChI=1S/C21H25NO2/c1-14-5-6-18(13-15(14)2)21(23)22(16(3)17-7-8-17)19-9-11-20(24-4)12-10-19/h5-6,9-13,16-17H,7-8H2,1-4H3/t16-/m1/s1
InChIKeyKEFOCRBITVFSDX-MRXNPFEDSA-N
XLogP4.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 122136174
N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 47089588
4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide
CID 120561869
N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 124527848
3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 124687026
N-[(1S)-1-cyclopropylethyl]-N-phenylbenzamide
CID 6923930
N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide
CID 6923903
N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 95277110
7-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)heptanamide
CID 119764332
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 55552023
trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 124777561
6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate
CID 110169848

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide (CID 52535085) is N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide is COc1ccc(N(C(=O)c2ccc(C)c(C)c2)[C@H](C)C2CC2)cc1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide?
The InChIKey is KEFOCRBITVFSDX-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25NO2/c1-14-5-6-18(13-15(14)2)21(23)22(16(3)17-7-8-17)19-9-11-20(24-4)12-10-19/h5-6,9-13,16-17H,7-8H2,1-4H3/t16-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide?
N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide has a molecular weight of 323.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 52535085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).