N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide

C21H30ClN3O2 — CID 23742097

IUPACN-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide
SMILESCC(C)(CN)CN(Cc1cc(NC(=O)C2CCC2)ccc1Cl)C(=O)C1CC1
InChIInChI=1S/C21H30ClN3O2/c1-21(2,12-23)13-25(20(27)15-6-7-15)11-16-10-17(8-9-18(16)22)24-19(26)14-4-3-5-14/h8-10,14-15H,3-7,11-13,23H2,1-2H3,(H,24,26)
InChIKeyHQSJRPCXQSNRHP-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.80
Rot. Bonds8

About N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide

N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide (PubChem CID 23742097) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide
PubChem CID23742097
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC NameN-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide
SMILESCC(C)(CN)CN(Cc1cc(NC(=O)C2CCC2)ccc1Cl)C(=O)C1CC1
InChIInChI=1S/C21H30ClN3O2/c1-21(2,12-23)13-25(20(27)15-6-7-15)11-16-10-17(8-9-18(16)22)24-19(26)14-4-3-5-14/h8-10,14-15H,3-7,11-13,23H2,1-2H3,(H,24,26)
InChIKeyHQSJRPCXQSNRHP-UHFFFAOYSA-N
XLogP3.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide with MolForge

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-[[2-chloro-5-(cyclohexanecarbonylamino)phenyl]methyl]-4-cyanobenzamide
CID 23848981
N-(3-amino-2,2-dimethylpropyl)-N-[[2-chloro-5-(cyclopropanecarbonylamino)phenyl]methyl]-3-fluorobenzamide
CID 23795138
N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide
CID 23739109
N-(3-amino-2,2-dimethylpropyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 23823129
N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide
CID 23908761
N-[(5-acetamido-2-chlorophenyl)methyl]-N-(3-amino-2,2-dimethylpropyl)-4-cyanobenzamide
CID 23938506
N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide
CID 23829184
3-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119790110
methyl N-[3-[[(3-amino-2,2-dimethylpropyl)-(3-fluorobenzoyl)amino]methyl]-4-chlorophenyl]carbamate
CID 23933553
1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149500
N-(3-amino-2,2-dimethylpropyl)-N-[[5-[(4-tert-butylbenzoyl)amino]-2-chlorophenyl]methyl]-3-fluorobenzamide
CID 23883500
N-(3-amino-2,2-dimethylpropyl)-4-cyano-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzamide
CID 23986790

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide (CID 23742097) is N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide is CC(C)(CN)CN(Cc1cc(NC(=O)C2CCC2)ccc1Cl)C(=O)C1CC1.
What is the InChIKey of N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide?
The InChIKey is HQSJRPCXQSNRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c1-21(2,12-23)13-25(20(27)15-6-7-15)11-16-10-17(8-9-18(16)22)24-19(26)14-4-3-5-14/h8-10,14-15H,3-7,11-13,23H2,1-2H3,(H,24,26).
What are the key properties of N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide?
N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide has a molecular weight of 391.94 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide is sourced from PubChem (CID 23742097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).