N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide

C18H27NO2 — CID 119045232

IUPACN-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide
SMILESCC(C)C(CNC(=O)COCC1CC1)Cc1ccccc1
InChIInChI=1S/C18H27NO2/c1-14(2)17(10-15-6-4-3-5-7-15)11-19-18(20)13-21-12-16-8-9-16/h3-7,14,16-17H,8-13H2,1-2H3,(H,19,20)
InChIKeyGPDFSTKSKJGNLY-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.04
Rot. Bonds9

About N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide

N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide (PubChem CID 119045232) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide
PubChem CID119045232
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide
SMILESCC(C)C(CNC(=O)COCC1CC1)Cc1ccccc1
InChIInChI=1S/C18H27NO2/c1-14(2)17(10-15-6-4-3-5-7-15)11-19-18(20)13-21-12-16-8-9-16/h3-7,14,16-17H,8-13H2,1-2H3,(H,19,20)
InChIKeyGPDFSTKSKJGNLY-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[2-(cyclopropylmethoxy)acetyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243030
N-(2-amino-2-phenylethyl)-2-(cyclopropylmethoxy)acetamide;hydrochloride
CID 119529587
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(cyclopropylmethoxy)acetamide
CID 111450934
N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide
CID 119045205
2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
CID 111451344
2-(cyclopropylmethoxy)-N-[(1R)-1,3-diphenylpropyl]acetamide
CID 95573632
(1S,5S)-N-[(2S)-2-benzyl-3-methylbutyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129429272
N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 119045231
2-benzyl-3-[(2-butoxyacetyl)amino]propanoic acid
CID 119233668
(2-benzyl-3-methylbutyl)benzene
CID 22277918
2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid
CID 119233645
2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid
CID 119218359

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide?
The IUPAC name of N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide (CID 119045232) is N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide.
What is the SMILES notation for N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide?
The canonical SMILES for N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide is CC(C)C(CNC(=O)COCC1CC1)Cc1ccccc1.
What is the InChIKey of N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide?
The InChIKey is GPDFSTKSKJGNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(2)17(10-15-6-4-3-5-7-15)11-19-18(20)13-21-12-16-8-9-16/h3-7,14,16-17H,8-13H2,1-2H3,(H,19,20).
What are the key properties of N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide?
N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide has a molecular weight of 289.42 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-3-methylbutyl)-2-(cyclopropylmethoxy)acetamide is sourced from PubChem (CID 119045232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).