3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide

C14H18N4O — CID 115748951

IUPAC3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCCc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C14H18N4O/c15-12(11-4-2-1-3-5-11)10-14(19)18-7-6-13-16-8-9-17-13/h1-5,8-9,12H,6-7,10,15H2,(H,16,17)(H,18,19)
InChIKeyBGURHVBKIOTIRN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.16
Rot. Bonds6

About 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide

3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide (PubChem CID 115748951) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide
PubChem CID115748951
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide
SMILESNC(CC(=O)NCCc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C14H18N4O/c15-12(11-4-2-1-3-5-11)10-14(19)18-7-6-13-16-8-9-17-13/h1-5,8-9,12H,6-7,10,15H2,(H,16,17)(H,18,19)
InChIKeyBGURHVBKIOTIRN-UHFFFAOYSA-N
XLogP1.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 115620128
2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 113315085
3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115649606
(2R)-2-amino-N-(1H-imidazol-2-ylmethyl)-2-phenylacetamide
CID 64529573
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine
CID 167885469
3-amino-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119950099
N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
CID 115668473
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
CID 24694165
2-(2,6-difluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115686762
3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 115668650

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide (CID 115748951) is 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide is NC(CC(=O)NCCc1ncc[nH]1)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide?
The InChIKey is BGURHVBKIOTIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-12(11-4-2-1-3-5-11)10-14(19)18-7-6-13-16-8-9-17-13/h1-5,8-9,12H,6-7,10,15H2,(H,16,17)(H,18,19).
What are the key properties of 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide?
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 115748951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).