N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide

C18H25N3O2 — CID 135089433

IUPACN-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide
SMILESCn1cncc1CN(CCO)C(=O)CC(C)(C)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-18(2,15-7-5-4-6-8-15)11-17(23)21(9-10-22)13-16-12-19-14-20(16)3/h4-8,12,14,22H,9-11,13H2,1-3H3
InChIKeyMOFHFYUCBKTRRL-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.11
Rot. Bonds7

About N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide

N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide (PubChem CID 135089433) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide
PubChem CID135089433
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide
SMILESCn1cncc1CN(CCO)C(=O)CC(C)(C)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-18(2,15-7-5-4-6-8-15)11-17(23)21(9-10-22)13-16-12-19-14-20(16)3/h4-8,12,14,22H,9-11,13H2,1-3H3
InChIKeyMOFHFYUCBKTRRL-UHFFFAOYSA-N
XLogP2.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide (CID 135089433) is N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide is Cn1cncc1CN(CCO)C(=O)CC(C)(C)c1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide?
The InChIKey is MOFHFYUCBKTRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,15-7-5-4-6-8-15)11-17(23)21(9-10-22)13-16-12-19-14-20(16)3/h4-8,12,14,22H,9-11,13H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide?
N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide has a molecular weight of 315.42 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide is sourced from PubChem (CID 135089433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).