N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide

C20H33N3O2 — CID 119641381

IUPACN-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide
SMILESCCC(N)(CC)CNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-6-20(21,7-2)14-23-17(24)12-13-22-18(25)15-8-10-16(11-9-15)19(3,4)5/h8-11H,6-7,12-14,21H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyYUOMMINIJSEUDD-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.74
Rot. Bonds8

About N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide

N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide (PubChem CID 119641381) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide
PubChem CID119641381
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide
SMILESCCC(N)(CC)CNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-6-20(21,7-2)14-23-17(24)12-13-22-18(25)15-8-10-16(11-9-15)19(3,4)5/h8-11H,6-7,12-14,21H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyYUOMMINIJSEUDD-UHFFFAOYSA-N
XLogP2.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide
CID 18166332
4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
CID 4062495
4-tert-butyl-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
CID 110878328
tert-butyl N-[3-[3-[(4-tert-butylbenzoyl)amino]propylamino]-3-oxopropyl]carbamate
CID 108921611
N-(2-amino-2-ethylbutyl)-4-(dimethylamino)benzamide
CID 115305742
N-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
CID 81484563
N-(2-amino-2-ethylbutyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 119642531
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
CID 81482515
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230
4-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-methylpentanoic acid
CID 119357141
4-tert-butyl-N-[3-[(4-methylpiperazin-1-yl)amino]-3-oxopropyl]benzamide
CID 9205104

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide?
The IUPAC name of N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide (CID 119641381) is N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide is CCC(N)(CC)CNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide?
The InChIKey is YUOMMINIJSEUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-6-20(21,7-2)14-23-17(24)12-13-22-18(25)15-8-10-16(11-9-15)19(3,4)5/h8-11H,6-7,12-14,21H2,1-5H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide?
N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide has a molecular weight of 347.50 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-ethylbutyl)amino]-3-oxopropyl]-4-tert-butylbenzamide is sourced from PubChem (CID 119641381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).