ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide

C14H33NO — CID 143641888

IUPACethane;(2S)-2,3,3-trimethyl-N-propylbutanamide
SMILESCC.CC.CCCNC(=O)[C@@H](C)C(C)(C)C
InChIInChI=1S/C10H21NO.2C2H6/c1-6-7-11-9(12)8(2)10(3,4)5;2*1-2/h8H,6-7H2,1-5H3,(H,11,12);2*1-2H3/t8-;;/m1../s1
InChIKeyGSMPTGFTQJQQBS-YCBDHFTFSA-N
MW231.42 g/mol
LogP4.25
Rot. Bonds3

About ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide

ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide (PubChem CID 143641888) has the molecular formula C14H33NO and a molecular weight of 231.42 g/mol. Its IUPAC name is ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide.

Molecular Properties

Compound Nameethane;(2S)-2,3,3-trimethyl-N-propylbutanamide
PubChem CID143641888
Molecular FormulaC14H33NO
Molecular Weight231.42 g/mol
Exact Mass231.26
IUPAC Nameethane;(2S)-2,3,3-trimethyl-N-propylbutanamide
SMILESCC.CC.CCCNC(=O)[C@@H](C)C(C)(C)C
InChIInChI=1S/C10H21NO.2C2H6/c1-6-7-11-9(12)8(2)10(3,4)5;2*1-2/h8H,6-7H2,1-5H3,(H,11,12);2*1-2H3/t8-;;/m1../s1
InChIKeyGSMPTGFTQJQQBS-YCBDHFTFSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propane;2,3,3-trimethyl-N-propylbutanamide
CID 143577775
(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
CID 143641934
N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane
CID 143855257
benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide
CID 143855700
2-iodo-N-propylpropanamide
CID 64787589
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
3,3-dimethyl-N-propyl-2-sulfanylbutanamide
CID 143641927
2-amino-N-propylpropanamide;ethane
CID 142837247
N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide
CID 143641947
2-tert-butyl-4,4-dimethyl-N-propylpentanamide
CID 121265105
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propylpropanamide
CID 43393041

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide?
The IUPAC name of ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide (CID 143641888) is ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide.
What is the SMILES notation for ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide?
The canonical SMILES for ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide is CC.CC.CCCNC(=O)[C@@H](C)C(C)(C)C.
What is the InChIKey of ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide?
The InChIKey is GSMPTGFTQJQQBS-YCBDHFTFSA-N. The full InChI is InChI=1S/C10H21NO.2C2H6/c1-6-7-11-9(12)8(2)10(3,4)5;2*1-2/h8H,6-7H2,1-5H3,(H,11,12);2*1-2H3/t8-;;/m1../s1.
What are the key properties of ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide?
ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide has a molecular weight of 231.42 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide is sourced from PubChem (CID 143641888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).