3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide

C14H17N3O — CID 114181945

IUPAC3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESNC(CC(=O)NCc1cc[nH]c1)c1ccccc1
InChIInChI=1S/C14H17N3O/c15-13(12-4-2-1-3-5-12)8-14(18)17-10-11-6-7-16-9-11/h1-7,9,13,16H,8,10,15H2,(H,17,18)
InChIKeyDVFZIRMUGDKTLC-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.72
Rot. Bonds5

About 3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide

3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 114181945) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID114181945
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESNC(CC(=O)NCc1cc[nH]c1)c1ccccc1
InChIInChI=1S/C14H17N3O/c15-13(12-4-2-1-3-5-12)8-14(18)17-10-11-6-7-16-9-11/h1-7,9,13,16H,8,10,15H2,(H,17,18)
InChIKeyDVFZIRMUGDKTLC-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
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2-chloro-2-phenyl-N-(1H-pyrrol-3-ylmethyl)acetamide
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3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide
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(2S)-2-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384850
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
2-benzylsulfanyl-N-(1H-pyrrol-3-ylmethyl)acetamide
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(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
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CID 24698834

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of 3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 114181945) is 3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for 3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide is NC(CC(=O)NCc1cc[nH]c1)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is DVFZIRMUGDKTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-13(12-4-2-1-3-5-12)8-14(18)17-10-11-6-7-16-9-11/h1-7,9,13,16H,8,10,15H2,(H,17,18).
What are the key properties of 3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 243.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 114181945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).