2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C16H25N3O — CID 60671103

IUPAC2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCC(C)NCC(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-13(2)17-11-16(20)18-15-7-5-14(6-8-15)12-19-9-3-4-10-19/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyFWNCOEGRPTUSIA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.22
Rot. Bonds6

About 2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide

2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 60671103) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID60671103
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCC(C)NCC(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-13(2)17-11-16(20)18-15-7-5-14(6-8-15)12-19-9-3-4-10-19/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyFWNCOEGRPTUSIA-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 60854515
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 9133103
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
2-(cyclopropylamino)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 43816897
2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62639474
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789
N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 108761981
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 60671103) is 2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide is CC(C)NCC(=O)Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is FWNCOEGRPTUSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)17-11-16(20)18-15-7-5-14(6-8-15)12-19-9-3-4-10-19/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 60671103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).