N,N-diethyl-2-(heptan-2-ylamino)acetamide

C13H28N2O — CID 60688008

IUPACN,N-diethyl-2-(heptan-2-ylamino)acetamide
SMILESCCCCCC(C)NCC(=O)N(CC)CC
InChIInChI=1S/C13H28N2O/c1-5-8-9-10-12(4)14-11-13(16)15(6-2)7-3/h12,14H,5-11H2,1-4H3
InChIKeyWCDRNOLGUVTHBO-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.41
Rot. Bonds9

About N,N-diethyl-2-(heptan-2-ylamino)acetamide

N,N-diethyl-2-(heptan-2-ylamino)acetamide (PubChem CID 60688008) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N,N-diethyl-2-(heptan-2-ylamino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(heptan-2-ylamino)acetamide
PubChem CID60688008
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN,N-diethyl-2-(heptan-2-ylamino)acetamide
SMILESCCCCCC(C)NCC(=O)N(CC)CC
InChIInChI=1S/C13H28N2O/c1-5-8-9-10-12(4)14-11-13(16)15(6-2)7-3/h12,14H,5-11H2,1-4H3
InChIKeyWCDRNOLGUVTHBO-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.41
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

2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide
CID 60688139
N,N-diethyl-3-(hexan-2-ylamino)propanamide
CID 60926870
2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide
CID 103390839
1,1-diethyl-3-heptan-2-ylurea
CID 78889279
2-(butan-2-ylamino)-N,N-dihexylacetamide
CID 63497077
N,N-diethyl-2-(hexan-3-ylamino)acetamide
CID 62117829
N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide
CID 28569844
2-[ethyl(methyl)amino]-N-heptan-2-ylacetamide
CID 71891384
tert-butyl 2-(heptan-2-ylamino)acetate
CID 60680829
2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid
CID 43466823
N,N-diethyl-2-[(1-hydroxy-4-methylpentan-3-yl)amino]acetamide
CID 104696156
(2R)-2-[[2-(dibutylamino)-2-oxoethyl]amino]propanoic acid
CID 83194352

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(heptan-2-ylamino)acetamide?
The IUPAC name of N,N-diethyl-2-(heptan-2-ylamino)acetamide (CID 60688008) is N,N-diethyl-2-(heptan-2-ylamino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(heptan-2-ylamino)acetamide?
The canonical SMILES for N,N-diethyl-2-(heptan-2-ylamino)acetamide is CCCCCC(C)NCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-(heptan-2-ylamino)acetamide?
The InChIKey is WCDRNOLGUVTHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-8-9-10-12(4)14-11-13(16)15(6-2)7-3/h12,14H,5-11H2,1-4H3.
What are the key properties of N,N-diethyl-2-(heptan-2-ylamino)acetamide?
N,N-diethyl-2-(heptan-2-ylamino)acetamide has a molecular weight of 228.38 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(heptan-2-ylamino)acetamide is sourced from PubChem (CID 60688008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).