N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide

C20H33N3O2 — CID 119654300

IUPACN-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide
SMILESCN(CC(C)(C)CN)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-19(2,3)16-9-7-15(8-10-16)18(25)22-12-11-17(24)23(6)14-20(4,5)13-21/h7-10H,11-14,21H2,1-6H3,(H,22,25)
InChIKeyRGHVWRYLQLMEMR-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.55
Rot. Bonds7

About N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide

N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide (PubChem CID 119654300) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide
PubChem CID119654300
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide
SMILESCN(CC(C)(C)CN)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-19(2,3)16-9-7-15(8-10-16)18(25)22-12-11-17(24)23(6)14-20(4,5)13-21/h7-10H,11-14,21H2,1-6H3,(H,22,25)
InChIKeyRGHVWRYLQLMEMR-UHFFFAOYSA-N
XLogP2.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide 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-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide
CID 119656009
4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
CID 78796540
N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119653613
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide
CID 119641381
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 7827795
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide
CID 119654510
4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119731255
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide?
The IUPAC name of N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide (CID 119654300) is N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide is CN(CC(C)(C)CN)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide?
The InChIKey is RGHVWRYLQLMEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-19(2,3)16-9-7-15(8-10-16)18(25)22-12-11-17(24)23(6)14-20(4,5)13-21/h7-10H,11-14,21H2,1-6H3,(H,22,25).
What are the key properties of N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide?
N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide has a molecular weight of 347.50 g/mol, XLogP of 2.55, 7 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)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide is sourced from PubChem (CID 119654300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).