N-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

C22H34N2O2 — CID 176712174

IUPACN-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
SMILESCc1cc(N2CCOC(C3CC3)CC2)cc(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C22H34N2O2/c1-15-12-18(24-9-8-19(17-6-7-17)26-11-10-24)13-16(2)21(15)23-20(25)14-22(3,4)5/h12-13,17,19H,6-11,14H2,1-5H3,(H,23,25)
InChIKeyRJDAFDOLAIUKJN-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.68
Rot. Bonds4

About N-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

N-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide (PubChem CID 176712174) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
PubChem CID176712174
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
SMILESCc1cc(N2CCOC(C3CC3)CC2)cc(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C22H34N2O2/c1-15-12-18(24-9-8-19(17-6-7-17)26-11-10-24)13-16(2)21(15)23-20(25)14-22(3,4)5/h12-13,17,19H,6-11,14H2,1-5H3,(H,23,25)
InChIKeyRJDAFDOLAIUKJN-UHFFFAOYSA-N
XLogP4.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 123900453
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide
CID 11660177
N-[2-chloro-6-fluoro-4-[(7R)-7-(4-fluorophenyl)-1,4-oxazepan-4-yl]phenyl]-3,3-dimethylbutanamide
CID 176712136
N-[2,6-dimethyl-4-(4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)phenyl]-3,3-dimethylbutanamide
CID 147255048
N-[4-(7,8-difluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 167440599
N-[2,6-dimethyl-4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3,3-dimethylbutanamide
CID 58097328
N-[2-fluoro-6-methyl-4-[(7R)-7-methyl-7-phenyl-1,4-oxazepan-4-yl]phenyl]-3,3-dimethylbutanamide
CID 176712161
N-[2-fluoro-4-[(7S)-7-(4-fluorophenyl)-1,4-oxazepan-4-yl]-6-(trifluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 176712115
N-[2,6-dimethyl-4-(4-propyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)phenyl]-3,3-dimethylbutanamide
CID 144594355
N-[4-(2-fluoro-4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 147695605
N-(2,6-dimethyl-4-morpholin-4-ylphenyl)octanamide
CID 11508231
N-[2,6-dimethyl-4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]phenyl]-3,3-dimethylbutanamide
CID 24937078

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide (CID 176712174) is N-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide is Cc1cc(N2CCOC(C3CC3)CC2)cc(C)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide?
The InChIKey is RJDAFDOLAIUKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-15-12-18(24-9-8-19(17-6-7-17)26-11-10-24)13-16(2)21(15)23-20(25)14-22(3,4)5/h12-13,17,19H,6-11,14H2,1-5H3,(H,23,25).
What are the key properties of N-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide?
N-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide has a molecular weight of 358.53 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-cyclopropyl-1,4-oxazepan-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 176712174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).