N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide

C27H37N3O2 — CID 23829184

IUPACN-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide
SMILESCC(C)(CN)CN(Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)C(=O)C1CC1
InChIInChI=1S/C27H37N3O2/c1-26(2,3)22-12-10-20(11-13-22)24(31)29-23-14-6-19(7-15-23)16-30(18-27(4,5)17-28)25(32)21-8-9-21/h6-7,10-15,21H,8-9,16-18,28H2,1-5H3,(H,29,31)
InChIKeyKQBOOBIMKSDBFJ-UHFFFAOYSA-N
MW435.61 g/mol
LogP4.96
Rot. Bonds8

About N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide

N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide (PubChem CID 23829184) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide
PubChem CID23829184
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC NameN-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide
SMILESCC(C)(CN)CN(Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)C(=O)C1CC1
InChIInChI=1S/C27H37N3O2/c1-26(2,3)22-12-10-20(11-13-22)24(31)29-23-14-6-19(7-15-23)16-30(18-27(4,5)17-28)25(32)21-8-9-21/h6-7,10-15,21H,8-9,16-18,28H2,1-5H3,(H,29,31)
InChIKeyKQBOOBIMKSDBFJ-UHFFFAOYSA-N
XLogP4.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate
CID 23933477
N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-2-bromobenzamide
CID 23824744
N-(3-amino-2,2-dimethylpropyl)-N-[(4-benzamidophenyl)methyl]-4-cyanobenzamide
CID 23824787
1-N-(4-tert-butylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149437
N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(4-cyanobenzoyl)amino]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 23793568
N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
CID 23880381
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
N-[4-[[(3-amino-2,2-dimethylpropyl)-(1,3-benzodioxole-5-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 23880697
N-(3-amino-2,2-dimethylpropyl)-N-[[5-[(4-tert-butylbenzoyl)amino]-2-chlorophenyl]methyl]-3-fluorobenzamide
CID 23883500
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
N-[4-[[[3-(aminomethyl)phenyl]methyl-(2-phenoxyacetyl)amino]methyl]phenyl]-4-tert-butylbenzamide
CID 23826240
methyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(1,3-benzodioxole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 23966237

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide?
The IUPAC name of N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide (CID 23829184) is N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide is CC(C)(CN)CN(Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)C(=O)C1CC1.
What is the InChIKey of N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide?
The InChIKey is KQBOOBIMKSDBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-26(2,3)22-12-10-20(11-13-22)24(31)29-23-14-6-19(7-15-23)16-30(18-27(4,5)17-28)25(32)21-8-9-21/h6-7,10-15,21H,8-9,16-18,28H2,1-5H3,(H,29,31).
What are the key properties of N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide?
N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide has a molecular weight of 435.61 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide is sourced from PubChem (CID 23829184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).