N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide

C16H25N3O — CID 61474184

IUPACN-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
SMILESCc1ccccc1NC(=O)CNC(C)CN1CCCC1
InChIInChI=1S/C16H25N3O/c1-13-7-3-4-8-15(13)18-16(20)11-17-14(2)12-19-9-5-6-10-19/h3-4,7-8,14,17H,5-6,9-12H2,1-2H3,(H,18,20)
InChIKeyXFHFQAOUKDOATF-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.01
Rot. Bonds6

About N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide

N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide (PubChem CID 61474184) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
PubChem CID61474184
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
SMILESCc1ccccc1NC(=O)CNC(C)CN1CCCC1
InChIInChI=1S/C16H25N3O/c1-13-7-3-4-8-15(13)18-16(20)11-17-14(2)12-19-9-5-6-10-19/h3-4,7-8,14,17H,5-6,9-12H2,1-2H3,(H,18,20)
InChIKeyXFHFQAOUKDOATF-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)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

2-(1-hydroxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43499948
N-(2-fluoro-4-methylphenyl)-2-[[(2R)-1-piperidin-1-ylpropan-2-yl]amino]acetamide
CID 95200536
N-(2-fluoro-4-methylphenyl)-2-(1-piperidin-1-ylpropan-2-ylamino)acetamide
CID 56712249
2-(1-methoxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43179613
N-(2-methylphenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 2902883
N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61474061
2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide
CID 115745528
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
N-carbamoyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61473770
N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61473889
2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 62232558
N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 113408558

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide (CID 61474184) is N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide is Cc1ccccc1NC(=O)CNC(C)CN1CCCC1.
What is the InChIKey of N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
The InChIKey is XFHFQAOUKDOATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-7-3-4-8-15(13)18-16(20)11-17-14(2)12-19-9-5-6-10-19/h3-4,7-8,14,17H,5-6,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide is sourced from PubChem (CID 61474184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).