N-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide

C18H22N4O4 — CID 167772602

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)Cn1ccnc1C(O)C1CC1
InChIInChI=1S/C18H22N4O4/c1-11(23)20-13-5-6-15(26-2)14(9-13)21-16(24)10-22-8-7-19-18(22)17(25)12-3-4-12/h5-9,12,17,25H,3-4,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIETMBRRGJDVZIU-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.93
Rot. Bonds7

About N-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide

N-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide (PubChem CID 167772602) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide
PubChem CID167772602
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)Cn1ccnc1C(O)C1CC1
InChIInChI=1S/C18H22N4O4/c1-11(23)20-13-5-6-15(26-2)14(9-13)21-16(24)10-22-8-7-19-18(22)17(25)12-3-4-12/h5-9,12,17,25H,3-4,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIETMBRRGJDVZIU-UHFFFAOYSA-N
XLogP1.93
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide (CID 167772602) is N-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)Cn1ccnc1C(O)C1CC1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide?
The InChIKey is IETMBRRGJDVZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-11(23)20-13-5-6-15(26-2)14(9-13)21-16(24)10-22-8-7-19-18(22)17(25)12-3-4-12/h5-9,12,17,25H,3-4,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[2-[cyclopropyl(hydroxy)methyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 167772602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).