N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide

C12H26N2O — CID 146482077

IUPACN-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide
SMILESCCN(C)C(=O)CCCN(CC)C(C)C
InChIInChI=1S/C12H26N2O/c1-6-13(5)12(15)9-8-10-14(7-2)11(3)4/h11H,6-10H2,1-5H3
InChIKeyIBMPQLNYGOHTOL-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.98
Rot. Bonds7

About N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide

N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide (PubChem CID 146482077) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide.

Molecular Properties

Compound NameN-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide
PubChem CID146482077
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide
SMILESCCN(C)C(=O)CCCN(CC)C(C)C
InChIInChI=1S/C12H26N2O/c1-6-13(5)12(15)9-8-10-14(7-2)11(3)4/h11H,6-10H2,1-5H3
InChIKeyIBMPQLNYGOHTOL-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
5-amino-N-ethyl-N-methylhexanamide
CID 82848384
4-[ethyl(propan-2-yl)amino]butanehydrazide
CID 63573828
N'-ethyl-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 59289592
4-amino-N-ethyl-N-methylbutanamide;hydrochloride
CID 173105098
8-[ethyl(methyl)amino]-8-oxooctanoic acid
CID 175615328
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839636
4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834108
N-ethyl-N,3-dimethylbutanamide
CID 18505916
2-[ethyl(propan-2-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 176579290
1-ethyl-1-methyl-3-pentyl-3-propan-2-ylurea
CID 116654960
4-[2-methylbutyl(propan-2-yl)amino]butanoic acid
CID 62105886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide?
The IUPAC name of N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide (CID 146482077) is N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide.
What is the SMILES notation for N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide?
The canonical SMILES for N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide is CCN(C)C(=O)CCCN(CC)C(C)C.
What is the InChIKey of N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide?
The InChIKey is IBMPQLNYGOHTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-13(5)12(15)9-8-10-14(7-2)11(3)4/h11H,6-10H2,1-5H3.
What are the key properties of N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide?
N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide is sourced from PubChem (CID 146482077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).