N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide

C20H28N4O3 — CID 118911609

IUPACN-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OC[C@]2(CC3CCCCC3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C20H28N4O3/c1-14(25)22-16-9-6-10-17(11-16)27-13-20(12-15-7-4-3-5-8-15)18(26)24(2)19(21)23-20/h6,9-11,15H,3-5,7-8,12-13H2,1-2H3,(H2,21,23)(H,22,25)/t20-/m0/s1
InChIKeyPYWXEPQZTXYUQV-FQEVSTJZSA-N
MW372.47 g/mol
LogP2.52
Rot. Bonds6

About N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide

N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide (PubChem CID 118911609) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide
PubChem CID118911609
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OC[C@]2(CC3CCCCC3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C20H28N4O3/c1-14(25)22-16-9-6-10-17(11-16)27-13-20(12-15-7-4-3-5-8-15)18(26)24(2)19(21)23-20/h6,9-11,15H,3-5,7-8,12-13H2,1-2H3,(H2,21,23)(H,22,25)/t20-/m0/s1
InChIKeyPYWXEPQZTXYUQV-FQEVSTJZSA-N
XLogP2.52
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-(cyclohexylmethyl)-5-[(3-ethenylphenoxy)methyl]-3-methylimidazol-4-one
CID 70335552
1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea
CID 59262469
N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide
CID 103160504
1-[(1S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea
CID 11775374
2-(3-acetamidophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 7698272
2-[(3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]-N-naphthalen-2-ylacetamide
CID 58425054
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide
CID 90577231
2-amino-5-(cyclohexylmethyl)-5-[(5-methoxycyclohexa-2,4-dien-1-yl)oxymethyl]-3-methylimidazol-4-one
CID 70326291
[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 7722315
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide
CID 11496530
3-[(3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-2-methyl-N-naphthalen-2-ylbutanamide
CID 163532654
2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
CID 61058468

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide (CID 118911609) is N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide is CC(=O)Nc1cccc(OC[C@]2(CC3CCCCC3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide?
The InChIKey is PYWXEPQZTXYUQV-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14(25)22-16-9-6-10-17(11-16)27-13-20(12-15-7-4-3-5-8-15)18(26)24(2)19(21)23-20/h6,9-11,15H,3-5,7-8,12-13H2,1-2H3,(H2,21,23)(H,22,25)/t20-/m0/s1.
What are the key properties of N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide?
N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4S)-2-amino-4-(cyclohexylmethyl)-1-methyl-5-oxoimidazol-4-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 118911609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).