N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide

C14H17N3O3 — CID 60509216

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide
SMILESCOc1cc(CNC(=O)C(C)n2ccnc2)ccc1O
InChIInChI=1S/C14H17N3O3/c1-10(17-6-5-15-9-17)14(19)16-8-11-3-4-12(18)13(7-11)20-2/h3-7,9-10,18H,8H2,1-2H3,(H,16,19)
InChIKeyCIYVUAGEBQTQSF-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.47
Rot. Bonds5

About N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide

N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide (PubChem CID 60509216) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide
PubChem CID60509216
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide
SMILESCOc1cc(CNC(=O)C(C)n2ccnc2)ccc1O
InChIInChI=1S/C14H17N3O3/c1-10(17-6-5-15-9-17)14(19)16-8-11-3-4-12(18)13(7-11)20-2/h3-7,9-10,18H,8H2,1-2H3,(H,16,19)
InChIKeyCIYVUAGEBQTQSF-UHFFFAOYSA-N
XLogP1.47
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
CID 51087014
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
3-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 112522401
(2R)-N-(cyclohexen-1-ylmethyl)-2-imidazol-1-ylpropanamide
CID 126449095
(2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-[4-(2-methylpropyl)phenyl]-4-oxo-2-propan-2-ylhexanamide
CID 147631717
(E,2S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylnon-6-enamide
CID 66589228
N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
CID 121497136
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
(2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
CID 126431688
N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55638310
(2S,3R)-2-(carbamoylamino)-N-[(3,4-dimethoxyphenyl)methyl]-3-methylpentanamide
CID 2126900

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide (CID 60509216) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide is COc1cc(CNC(=O)C(C)n2ccnc2)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide?
The InChIKey is CIYVUAGEBQTQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(17-6-5-15-9-17)14(19)16-8-11-3-4-12(18)13(7-11)20-2/h3-7,9-10,18H,8H2,1-2H3,(H,16,19).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide has a molecular weight of 275.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 60509216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).