N-hexan-2-ylacetamide;methane

C11H29NO — CID 161054772

IUPACN-hexan-2-ylacetamide;methane
SMILESC.C.C.CCCCC(C)NC(C)=O
InChIInChI=1S/C8H17NO.3CH4/c1-4-5-6-7(2)9-8(3)10;;;/h7H,4-6H2,1-3H3,(H,9,10);3*1H4
InChIKeyUCPHJHHGCGEQRO-UHFFFAOYSA-N
MW191.36 g/mol
LogP3.61
Rot. Bonds4

About N-hexan-2-ylacetamide;methane

N-hexan-2-ylacetamide;methane (PubChem CID 161054772) has the molecular formula C11H29NO and a molecular weight of 191.36 g/mol. Its IUPAC name is N-hexan-2-ylacetamide;methane.

Molecular Properties

Compound NameN-hexan-2-ylacetamide;methane
PubChem CID161054772
Molecular FormulaC11H29NO
Molecular Weight191.36 g/mol
Exact Mass191.22
IUPAC NameN-hexan-2-ylacetamide;methane
SMILESC.C.C.CCCCC(C)NC(C)=O
InChIInChI=1S/C8H17NO.3CH4/c1-4-5-6-7(2)9-8(3)10;;;/h7H,4-6H2,1-3H3,(H,9,10);3*1H4
InChIKeyUCPHJHHGCGEQRO-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-hexan-2-ylbutanamide
CID 64592038
N-(5-ethoxypentan-2-yl)acetamide
CID 89138295
N-[(2S)-1-fluoro-3-methylheptan-2-yl]acetamide
CID 122599066
N-(4-hydroxybutan-2-yl)acetamide
CID 20609978
(2R)-2-acetamidohexanoate
CID 6995105
N-(4-bromobutan-2-yl)acetamide
CID 83179388
N-[(2R)-1-fluoro-3-propan-2-ylheptan-2-yl]acetamide
CID 126694480
N-dodecan-2-ylpropanamide
CID 174988669
N-[5-(dimethylamino)hexan-2-yl]acetamide
CID 59721263
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
N-hexan-2-yl-2-methoxyacetamide
CID 64592486
N-(6-ethyldecan-5-yl)acetamide
CID 88504383

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-ylacetamide;methane?
The IUPAC name of N-hexan-2-ylacetamide;methane (CID 161054772) is N-hexan-2-ylacetamide;methane.
What is the SMILES notation for N-hexan-2-ylacetamide;methane?
The canonical SMILES for N-hexan-2-ylacetamide;methane is C.C.C.CCCCC(C)NC(C)=O.
What is the InChIKey of N-hexan-2-ylacetamide;methane?
The InChIKey is UCPHJHHGCGEQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.3CH4/c1-4-5-6-7(2)9-8(3)10;;;/h7H,4-6H2,1-3H3,(H,9,10);3*1H4.
What are the key properties of N-hexan-2-ylacetamide;methane?
N-hexan-2-ylacetamide;methane has a molecular weight of 191.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-ylacetamide;methane is sourced from PubChem (CID 161054772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).