2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide

C14H18N4O2 — CID 156533952

IUPAC2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(N)Cc2cnc[nH]2)cc1
InChIInChI=1S/C14H18N4O2/c1-20-12-4-2-10(3-5-12)7-17-14(19)13(15)6-11-8-16-9-18-11/h2-5,8-9,13H,6-7,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyOHOLXOQZDLAVJS-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.60
Rot. Bonds6

About 2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide

2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 156533952) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID156533952
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(N)Cc2cnc[nH]2)cc1
InChIInChI=1S/C14H18N4O2/c1-20-12-4-2-10(3-5-12)7-17-14(19)13(15)6-11-8-16-9-18-11/h2-5,8-9,13H,6-7,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyOHOLXOQZDLAVJS-UHFFFAOYSA-N
XLogP0.60
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propanamide
CID 156554587
(2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 156533963
(2S)-2-amino-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)propanamide
CID 67571460
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
(2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide
CID 10805811
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(3-methylsulfanylpropyl)propanamide
CID 171776509
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
methyl (2S)-2-[(2-bromoacetyl)-[(4-methoxyphenyl)methyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 53305748
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide
CID 11550389
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
chloro (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57466385

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide (CID 156533952) is 2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)C(N)Cc2cnc[nH]2)cc1.
What is the InChIKey of 2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is OHOLXOQZDLAVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-12-4-2-10(3-5-12)7-17-14(19)13(15)6-11-8-16-9-18-11/h2-5,8-9,13H,6-7,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-imidazol-5-yl)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 156533952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).