N-(6-methylheptan-2-yl)butanamide

C12H25NO — CID 60644759

IUPACN-(6-methylheptan-2-yl)butanamide
SMILESCCCC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C12H25NO/c1-5-7-12(14)13-11(4)9-6-8-10(2)3/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyNVVLQESKTJVJKF-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.12
Rot. Bonds7

About N-(6-methylheptan-2-yl)butanamide

N-(6-methylheptan-2-yl)butanamide (PubChem CID 60644759) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)butanamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)butanamide
PubChem CID60644759
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(6-methylheptan-2-yl)butanamide
SMILESCCCC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C12H25NO/c1-5-7-12(14)13-11(4)9-6-8-10(2)3/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyNVVLQESKTJVJKF-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-hexan-2-ylbutanamide
CID 64592038
N-(5-bromopentan-2-yl)butanamide
CID 114316345
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide
CID 62837477
N-pentan-2-ylundecanamide
CID 173258559
N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide
CID 18431763
3-chloro-N-(6-methylheptan-2-ylcarbamoyl)propanamide
CID 54952807
1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
CID 94702761

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)butanamide?
The IUPAC name of N-(6-methylheptan-2-yl)butanamide (CID 60644759) is N-(6-methylheptan-2-yl)butanamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)butanamide?
The canonical SMILES for N-(6-methylheptan-2-yl)butanamide is CCCC(=O)NC(C)CCCC(C)C.
What is the InChIKey of N-(6-methylheptan-2-yl)butanamide?
The InChIKey is NVVLQESKTJVJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-12(14)13-11(4)9-6-8-10(2)3/h10-11H,5-9H2,1-4H3,(H,13,14).
What are the key properties of N-(6-methylheptan-2-yl)butanamide?
N-(6-methylheptan-2-yl)butanamide has a molecular weight of 199.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)butanamide is sourced from PubChem (CID 60644759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).