N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide

C21H33N3O2 — CID 23963683

IUPACN-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide
SMILESCC(=O)Nc1cccc(CN(C(=O)CC(C)(C)C)C2CCC(N)CC2)c1
InChIInChI=1S/C21H33N3O2/c1-15(25)23-18-7-5-6-16(12-18)14-24(20(26)13-21(2,3)4)19-10-8-17(22)9-11-19/h5-7,12,17,19H,8-11,13-14,22H2,1-4H3,(H,23,25)
InChIKeyFUCMQMBSRKJKCU-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.68
Rot. Bonds5

About N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide

N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide (PubChem CID 23963683) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide
PubChem CID23963683
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide
SMILESCC(=O)Nc1cccc(CN(C(=O)CC(C)(C)C)C2CCC(N)CC2)c1
InChIInChI=1S/C21H33N3O2/c1-15(25)23-18-7-5-6-16(12-18)14-24(20(26)13-21(2,3)4)19-10-8-17(22)9-11-19/h5-7,12,17,19H,8-11,13-14,22H2,1-4H3,(H,23,25)
InChIKeyFUCMQMBSRKJKCU-UHFFFAOYSA-N
XLogP3.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]carbamate
CID 23940373
[4-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]methylphosphonic acid
CID 23731868
N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 23823774
N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide
CID 110921357
N-[4-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 23848555
N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide
CID 23790905
N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide
CID 23762833
N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide
CID 79116038
N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 23762344
N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23884328
N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide
CID 71999869
N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide
CID 23738640

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide (CID 23963683) is N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide is CC(=O)Nc1cccc(CN(C(=O)CC(C)(C)C)C2CCC(N)CC2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide?
The InChIKey is FUCMQMBSRKJKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-15(25)23-18-7-5-6-16(12-18)14-24(20(26)13-21(2,3)4)19-10-8-17(22)9-11-19/h5-7,12,17,19H,8-11,13-14,22H2,1-4H3,(H,23,25).
What are the key properties of N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide?
N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide has a molecular weight of 359.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 23963683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).