3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide

C16H25N3O2 — CID 82070469

IUPAC3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESCC(C)NC(=O)c1ccc(OCCN2CCCC2)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-12(2)18-16(20)13-5-6-15(14(17)11-13)21-10-9-19-7-3-4-8-19/h5-6,11-12H,3-4,7-10,17H2,1-2H3,(H,18,20)
InChIKeyWJOKUIGIFSQGBK-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.88
Rot. Bonds6

About 3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide

3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide (PubChem CID 82070469) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide
PubChem CID82070469
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESCC(C)NC(=O)c1ccc(OCCN2CCCC2)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-12(2)18-16(20)13-5-6-15(14(17)11-13)21-10-9-19-7-3-4-8-19/h5-6,11-12H,3-4,7-10,17H2,1-2H3,(H,18,20)
InChIKeyWJOKUIGIFSQGBK-UHFFFAOYSA-N
XLogP1.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-methylpropyl)-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070467
1-[3-amino-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-methylpropan-1-one
CID 82064319
3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
CID 82070404
4-amino-3-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 82796589
1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
CID 82064195
2-[(3-amino-4-propoxybenzoyl)amino]-3-hydroxybutanoic acid
CID 110496619
2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515
propyl 4-amino-3-(2-pyrrolidin-1-ylethoxy)benzoate
CID 82057522
4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 104782742
4-amino-3-butoxy-N-propan-2-ylbenzamide
CID 82069845
1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82064923
3-amino-N-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzamide
CID 82999437

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The IUPAC name of 3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide (CID 82070469) is 3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide.
What is the SMILES notation for 3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The canonical SMILES for 3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide is CC(C)NC(=O)c1ccc(OCCN2CCCC2)c(N)c1.
What is the InChIKey of 3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The InChIKey is WJOKUIGIFSQGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)18-16(20)13-5-6-15(14(17)11-13)21-10-9-19-7-3-4-8-19/h5-6,11-12H,3-4,7-10,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide?
3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide has a molecular weight of 291.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide is sourced from PubChem (CID 82070469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).