3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide

C14H17N3O — CID 106384868

IUPAC3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESNc1ccccc1CCC(=O)NCc1cc[nH]c1
InChIInChI=1S/C14H17N3O/c15-13-4-2-1-3-12(13)5-6-14(18)17-10-11-7-8-16-9-11/h1-4,7-9,16H,5-6,10,15H2,(H,17,18)
InChIKeyUVEYQMXPTMSQNH-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.85
Rot. Bonds5

About 3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide

3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 106384868) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID106384868
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESNc1ccccc1CCC(=O)NCc1cc[nH]c1
InChIInChI=1S/C14H17N3O/c15-13-4-2-1-3-12(13)5-6-14(18)17-10-11-7-8-16-9-11/h1-4,7-9,16H,5-6,10,15H2,(H,17,18)
InChIKeyUVEYQMXPTMSQNH-UHFFFAOYSA-N
XLogP1.85
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114182119
3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 120612277
7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide
CID 106384846
4-[[3-(2-aminophenyl)propanoylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 120613089
3-(2-aminophenyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide;dihydrochloride
CID 120612373
3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 120607855
3-(2-aminophenyl)-N-[[3-(methylsulfonylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609991
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110794136
3-(2-aminophenyl)-N-[[2-(methylsulfonylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120611481
3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 106384868) is 3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide is Nc1ccccc1CCC(=O)NCc1cc[nH]c1.
What is the InChIKey of 3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is UVEYQMXPTMSQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-13-4-2-1-3-12(13)5-6-14(18)17-10-11-7-8-16-9-11/h1-4,7-9,16H,5-6,10,15H2,(H,17,18).
What are the key properties of 3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide?
3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 243.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 106384868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).