N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide

C21H28N2O2 — CID 120648333

IUPACN-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(CC(=O)N(CCCN)Cc2ccccc2)c1
InChIInChI=1S/C21H28N2O2/c1-17(2)25-20-11-6-10-19(14-20)15-21(24)23(13-7-12-22)16-18-8-4-3-5-9-18/h3-6,8-11,14,17H,7,12-13,15-16,22H2,1-2H3
InChIKeyZFQNCWVAVXDOSU-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.39
Rot. Bonds9

About N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide

N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide (PubChem CID 120648333) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide
PubChem CID120648333
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(CC(=O)N(CCCN)Cc2ccccc2)c1
InChIInChI=1S/C21H28N2O2/c1-17(2)25-20-11-6-10-19(14-20)15-21(24)23(13-7-12-22)16-18-8-4-3-5-9-18/h3-6,8-11,14,17H,7,12-13,15-16,22H2,1-2H3
InChIKeyZFQNCWVAVXDOSU-UHFFFAOYSA-N
XLogP3.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017
N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide
CID 120648289
N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119405627
N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
CID 107365679
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride
CID 120649019
N-(3-aminopropyl)-N-benzyl-2-(1-methylpyrazol-4-yl)acetamide
CID 120649709
N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide
CID 120648074
2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 119198334
N-(3-aminopropyl)-N-benzyl-3-(2-methylphenyl)butanamide
CID 120649780
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide (CID 120648333) is N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide is CC(C)Oc1cccc(CC(=O)N(CCCN)Cc2ccccc2)c1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide?
The InChIKey is ZFQNCWVAVXDOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-17(2)25-20-11-6-10-19(14-20)15-21(24)23(13-7-12-22)16-18-8-4-3-5-9-18/h3-6,8-11,14,17H,7,12-13,15-16,22H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide?
N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 120648333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).