N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide

C17H28N2O2 — CID 63287136

IUPACN-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCCN)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-17(2,3)15-8-6-14(7-9-15)16(20)19(11-5-10-18)12-13-21-4/h6-9H,5,10-13,18H2,1-4H3
InChIKeyZWHAOBKBADBTFE-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.42
Rot. Bonds7

About N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide

N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide (PubChem CID 63287136) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
PubChem CID63287136
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCCN)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-17(2,3)15-8-6-14(7-9-15)16(20)19(11-5-10-18)12-13-21-4/h6-9H,5,10-13,18H2,1-4H3
InChIKeyZWHAOBKBADBTFE-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 63287370
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 79725938
N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 63287503
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide
CID 107026123
N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide
CID 43319284
N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 55173242
N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604
4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981287
N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dimethylbenzamide
CID 55173243
4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43168099
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide (CID 63287136) is N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide is COCCN(CCCN)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide?
The InChIKey is ZWHAOBKBADBTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(2,3)15-8-6-14(7-9-15)16(20)19(11-5-10-18)12-13-21-4/h6-9H,5,10-13,18H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide?
N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide has a molecular weight of 292.42 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 63287136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).