2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide

C12H26N2O — CID 71891384

IUPAC2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide
SMILESCCCCCC(C)NC(=O)CN(C)CC
InChIInChI=1S/C12H26N2O/c1-5-7-8-9-11(3)13-12(15)10-14(4)6-2/h11H,5-10H2,1-4H3,(H,13,15)
InChIKeyPHSPGXVJPWQHRM-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.02
Rot. Bonds8

About 2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide

2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide (PubChem CID 71891384) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide
PubChem CID71891384
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide
SMILESCCCCCC(C)NC(=O)CN(C)CC
InChIInChI=1S/C12H26N2O/c1-5-7-8-9-11(3)13-12(15)10-14(4)6-2/h11H,5-10H2,1-4H3,(H,13,15)
InChIKeyPHSPGXVJPWQHRM-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(heptan-2-ylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55006561
N-dodecan-2-ylpropanamide
CID 174988669
2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8635329
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
2-[(3-chlorophenyl)methyl-methylamino]-N-[(2S)-heptan-2-yl]acetamide
CID 94897707
2-[(3-chlorophenyl)methyl-methylamino]-N-heptan-2-ylacetamide
CID 56827984
2-chloro-N-[(2R)-octan-2-yl]acetamide
CID 7131842
1,1-diethyl-3-heptan-2-ylurea
CID 78889279
methyl 2-[[2-(heptan-2-ylamino)-2-oxoethyl]-propylamino]acetate
CID 62012334
3-amino-N-heptan-2-ylbutanamide
CID 60836862
2-[2-aminopropyl(methyl)amino]-N-pentan-2-ylacetamide
CID 63759359

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide?
The IUPAC name of 2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide (CID 71891384) is 2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide?
The canonical SMILES for 2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide is CCCCCC(C)NC(=O)CN(C)CC.
What is the InChIKey of 2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide?
The InChIKey is PHSPGXVJPWQHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-7-8-9-11(3)13-12(15)10-14(4)6-2/h11H,5-10H2,1-4H3,(H,13,15).
What are the key properties of 2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide?
2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide has a molecular weight of 214.35 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide is sourced from PubChem (CID 71891384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).