3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide

C14H18N4O — CID 61253020

IUPAC3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
SMILESCn1ccnc1C(NC(=O)CCN)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-18-10-9-16-14(18)13(17-12(19)7-8-15)11-5-3-2-4-6-11/h2-6,9-10,13H,7-8,15H2,1H3,(H,17,19)
InChIKeyNJXFHBUIJXRRLE-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.97
Rot. Bonds5

About 3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide

3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide (PubChem CID 61253020) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
PubChem CID61253020
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
SMILESCn1ccnc1C(NC(=O)CCN)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-18-10-9-16-14(18)13(17-12(19)7-8-15)11-5-3-2-4-6-11/h2-6,9-10,13H,7-8,15H2,1H3,(H,17,19)
InChIKeyNJXFHBUIJXRRLE-UHFFFAOYSA-N
XLogP0.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylpropanamide
CID 52521676
4-(azepan-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 90652611
4-(4-bromophenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 31357215
3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 115426635
N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide
CID 46650550
tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate
CID 46533040
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
2-(2-fluorophenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25367645
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
4-(5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 42937336

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
The IUPAC name of 3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide (CID 61253020) is 3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide.
What is the SMILES notation for 3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
The canonical SMILES for 3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide is Cn1ccnc1C(NC(=O)CCN)c1ccccc1.
What is the InChIKey of 3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
The InChIKey is NJXFHBUIJXRRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18-10-9-16-14(18)13(17-12(19)7-8-15)11-5-3-2-4-6-11/h2-6,9-10,13H,7-8,15H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide?
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide has a molecular weight of 258.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide is sourced from PubChem (CID 61253020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).