N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide

C10H19NO2 — CID 126671090

IUPACN-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
SMILESCC[C@@H](CO)N(CC1CC1)C(C)=O
InChIInChI=1S/C10H19NO2/c1-3-10(7-12)11(8(2)13)6-9-4-5-9/h9-10,12H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyDXKXRDPIBOIPNY-JTQLQIEISA-N
MW185.27 g/mol
LogP1.02
Rot. Bonds5

About N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide

N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide (PubChem CID 126671090) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
PubChem CID126671090
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
SMILESCC[C@@H](CO)N(CC1CC1)C(C)=O
InChIInChI=1S/C10H19NO2/c1-3-10(7-12)11(8(2)13)6-9-4-5-9/h9-10,12H,3-7H2,1-2H3/t10-/m0/s1
InChIKeyDXKXRDPIBOIPNY-JTQLQIEISA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 126671095
N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]formamide
CID 156566585
3-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 63067785
2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol
CID 62016472
N-(cyclopropylmethyl)-N-propylacetamide
CID 59001159
N-[(4-acetylcyclohexyl)methyl]-N-methylacetamide
CID 143959726
2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 61209214
2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55000658
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]propane-2-sulfonamide
CID 153306604
2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid
CID 43655102
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxypentan-2-yl]-2-methylpropane-2-sulfonamide
CID 146435358
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592998

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide (CID 126671090) is N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide is CC[C@@H](CO)N(CC1CC1)C(C)=O.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide?
The InChIKey is DXKXRDPIBOIPNY-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-10(7-12)11(8(2)13)6-9-4-5-9/h9-10,12H,3-7H2,1-2H3/t10-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide?
N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide has a molecular weight of 185.27 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 126671090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).