2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide

C17H26N2O2 — CID 106312443

IUPAC2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCC2(O)CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-12-3-5-14(6-4-12)15(18)16(20)19-11-17(21)9-7-13(2)8-10-17/h3-6,13,15,21H,7-11,18H2,1-2H3,(H,19,20)
InChIKeyYCEWSHZPLABLLV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.05
Rot. Bonds4

About 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide

2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide (PubChem CID 106312443) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
PubChem CID106312443
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCC2(O)CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-12-3-5-14(6-4-12)15(18)16(20)19-11-17(21)9-7-13(2)8-10-17/h3-6,13,15,21H,7-11,18H2,1-2H3,(H,19,20)
InChIKeyYCEWSHZPLABLLV-UHFFFAOYSA-N
XLogP2.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Nateglinide
CID 5311309
L-Phenylalanyl-L-phenylalanine
CID 6993090
Leu-phe
CID 6992310
Val-Phe
CID 6993120
ent-Nateglinide
CID 60026
2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid
CID 4443
Isoleucylphenylalanine
CID 435728
Leucylphenylalanine
CID 259325
N-(N-Acetyl-3-phenyl-L-alanyl)-3-phenyl-L-alanine
CID 100135
Phenylalanylphenylalanine
CID 65104
(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 445826
N-cyclohexyl-2-(diethylamino)-2-(4-methylphenyl)acetamide
CID 4206052

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide (CID 106312443) is 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NCC2(O)CCC(C)CC2)cc1.
What is the InChIKey of 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is YCEWSHZPLABLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-3-5-14(6-4-12)15(18)16(20)19-11-17(21)9-7-13(2)8-10-17/h3-6,13,15,21H,7-11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106312443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).