N-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide

C17H24N4O — CID 138753330

IUPACN-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2c[nH]cc2CN(C)CCN)c1
InChIInChI=1S/C17H24N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h4-6,9-11,19H,3,7-8,12,18H2,1-2H3,(H,20,22)
InChIKeyZXTYIIDDTFQCGV-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.42
Rot. Bonds7

About N-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide

N-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide (PubChem CID 138753330) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide
PubChem CID138753330
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2c[nH]cc2CN(C)CCN)c1
InChIInChI=1S/C17H24N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h4-6,9-11,19H,3,7-8,12,18H2,1-2H3,(H,20,22)
InChIKeyZXTYIIDDTFQCGV-UHFFFAOYSA-N
XLogP2.42
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(1H-Indol-3-Yl)Ethyl)Propanamide
CID 216303
N-[2-(1H-Indol-3-yl)ethyl]-N-methylacetamide
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CID 138753329
CID 138753329
N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 10037095
methyl(2-phenylethyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110293
methyl(3-phenylpropyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110294
methyl(4-phenylbutyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110295
N-(4''-Isonicotinoylbiphenyl-3-yl)acetamide
CID 46901613
4-Methyl-1-(m-tolylcarbamoyl-methyl)-pyridinium
CID 24747032
(2E)-2-cyano-N-(2,3-dimethylphenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide
CID 24818448
2-(3-methylanilino)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135845995
N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 884747

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide?
The IUPAC name of N-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide (CID 138753330) is N-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2c[nH]cc2CN(C)CCN)c1.
What is the InChIKey of N-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide?
The InChIKey is ZXTYIIDDTFQCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h4-6,9-11,19H,3,7-8,12,18H2,1-2H3,(H,20,22).
What are the key properties of N-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide?
N-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide has a molecular weight of 300.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide is sourced from PubChem (CID 138753330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).