2-(7-methyloctylamino)-N-propan-2-ylacetamide

C14H30N2O — CID 103604939

IUPAC2-(7-methyloctylamino)-N-propan-2-ylacetamide
SMILESCC(C)CCCCCCNCC(=O)NC(C)C
InChIInChI=1S/C14H30N2O/c1-12(2)9-7-5-6-8-10-15-11-14(17)16-13(3)4/h12-13,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyDYMKHGXBVFWYTL-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.71
Rot. Bonds10

About 2-(7-methyloctylamino)-N-propan-2-ylacetamide

2-(7-methyloctylamino)-N-propan-2-ylacetamide (PubChem CID 103604939) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-(7-methyloctylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(7-methyloctylamino)-N-propan-2-ylacetamide
PubChem CID103604939
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-(7-methyloctylamino)-N-propan-2-ylacetamide
SMILESCC(C)CCCCCCNCC(=O)NC(C)C
InChIInChI=1S/C14H30N2O/c1-12(2)9-7-5-6-8-10-15-11-14(17)16-13(3)4/h12-13,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyDYMKHGXBVFWYTL-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-methylhexylamino)-N-propylacetamide
CID 115325791
2-(5-methylhexylamino)acetamide
CID 115325450
N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
1-(azepan-1-yl)-2-(5-methylhexylamino)ethanone
CID 113287464
2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide
CID 103604920
2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide
CID 65093410
N-(8-methylnonyl)-2-(2-methylpropylamino)acetamide
CID 156546991
2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115325811
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid
CID 135241938
2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 103604972

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyloctylamino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(7-methyloctylamino)-N-propan-2-ylacetamide (CID 103604939) is 2-(7-methyloctylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(7-methyloctylamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(7-methyloctylamino)-N-propan-2-ylacetamide is CC(C)CCCCCCNCC(=O)NC(C)C.
What is the InChIKey of 2-(7-methyloctylamino)-N-propan-2-ylacetamide?
The InChIKey is DYMKHGXBVFWYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)9-7-5-6-8-10-15-11-14(17)16-13(3)4/h12-13,15H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 2-(7-methyloctylamino)-N-propan-2-ylacetamide?
2-(7-methyloctylamino)-N-propan-2-ylacetamide has a molecular weight of 242.41 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyloctylamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 103604939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).