N-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide

C18H26N4O2 — CID 154843972

IUPACN-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide
SMILESCOc1ccccc1C(N)CNC(=O)C(CC(C)C)n1ccnc1
InChIInChI=1S/C18H26N4O2/c1-13(2)10-16(22-9-8-20-12-22)18(23)21-11-15(19)14-6-4-5-7-17(14)24-3/h4-9,12-13,15-16H,10-11,19H2,1-3H3,(H,21,23)
InChIKeyDMIFGCAJOQBVRB-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.30
Rot. Bonds8

About N-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide

N-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide (PubChem CID 154843972) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide
PubChem CID154843972
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide
SMILESCOc1ccccc1C(N)CNC(=O)C(CC(C)C)n1ccnc1
InChIInChI=1S/C18H26N4O2/c1-13(2)10-16(22-9-8-20-12-22)18(23)21-11-15(19)14-6-4-5-7-17(14)24-3/h4-9,12-13,15-16H,10-11,19H2,1-3H3,(H,21,23)
InChIKeyDMIFGCAJOQBVRB-UHFFFAOYSA-N
XLogP2.30
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide
CID 119342540
N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide
CID 174566783
3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide
CID 120502168
methyl 2-(2-methoxyphenyl)-4-methylpentanoate
CID 112508329
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-imidazol-1-ylpropanamide
CID 60509216
(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804840
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide
CID 126824390
N-[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 124673447
2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 120669331
N-[2-[1-(2-methoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43202951
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
CID 17200482
2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 103257726

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide?
The IUPAC name of N-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide (CID 154843972) is N-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide.
What is the SMILES notation for N-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide?
The canonical SMILES for N-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide is COc1ccccc1C(N)CNC(=O)C(CC(C)C)n1ccnc1.
What is the InChIKey of N-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide?
The InChIKey is DMIFGCAJOQBVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(2)10-16(22-9-8-20-12-22)18(23)21-11-15(19)14-6-4-5-7-17(14)24-3/h4-9,12-13,15-16H,10-11,19H2,1-3H3,(H,21,23).
What are the key properties of N-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide?
N-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide has a molecular weight of 330.43 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide is sourced from PubChem (CID 154843972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).