N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide

C17H28N2O — CID 43319284

IUPACN-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCN)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-13(2)19(12-6-11-18)16(20)14-7-9-15(10-8-14)17(3,4)5/h7-10,13H,6,11-12,18H2,1-5H3
InChIKeyASUGJEZWQBOGLU-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.18
Rot. Bonds5

About N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide

N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide (PubChem CID 43319284) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide
PubChem CID43319284
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCN)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-13(2)19(12-6-11-18)16(20)14-7-9-15(10-8-14)17(3,4)5/h7-10,13H,6,11-12,18H2,1-5H3
InChIKeyASUGJEZWQBOGLU-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 107673300
N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide
CID 62850042
N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 63287136
N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 61349904
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
4-(aminomethyl)-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119289264
4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119723192
4-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 43136696

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide (CID 43319284) is N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide is CC(C)N(CCCN)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide?
The InChIKey is ASUGJEZWQBOGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)19(12-6-11-18)16(20)14-7-9-15(10-8-14)17(3,4)5/h7-10,13H,6,11-12,18H2,1-5H3.
What are the key properties of N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide?
N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide has a molecular weight of 276.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 43319284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).