2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide

C14H18N4O — CID 61325742

IUPAC2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCCn1ccnc1
InChIInChI=1S/C14H18N4O/c15-13(10-12-4-2-1-3-5-12)14(19)17-7-9-18-8-6-16-11-18/h1-6,8,11,13H,7,9-10,15H2,(H,17,19)
InChIKeyYSJPJAVWUPAANQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.57
Rot. Bonds6

About 2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide

2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide (PubChem CID 61325742) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
PubChem CID61325742
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCCn1ccnc1
InChIInChI=1S/C14H18N4O/c15-13(10-12-4-2-1-3-5-12)14(19)17-7-9-18-8-6-16-11-18/h1-6,8,11,13H,7,9-10,15H2,(H,17,19)
InChIKeyYSJPJAVWUPAANQ-UHFFFAOYSA-N
XLogP0.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 28994199
2-amino-1-imidazol-1-yl-3-phenylpropan-1-one
CID 110463444
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
methyl 2-benzyl-3-imidazol-1-ylpropanoate
CID 15018129
3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride
CID 119952744
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391024
(2S)-2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 61164027
4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide
CID 63323955
2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119291636
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
CID 103006482
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
1-(2-imidazol-1-ylethyl)-3-phenylthiourea
CID 115570770

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide (CID 61325742) is 2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)NCCn1ccnc1.
What is the InChIKey of 2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide?
The InChIKey is YSJPJAVWUPAANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-13(10-12-4-2-1-3-5-12)14(19)17-7-9-18-8-6-16-11-18/h1-6,8,11,13H,7,9-10,15H2,(H,17,19).
What are the key properties of 2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide?
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide is sourced from PubChem (CID 61325742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).