ethane;3-methyl-N-nonylbutanamide;prop-1-ene

C19H41NO — CID 170638874

IUPACethane;3-methyl-N-nonylbutanamide;prop-1-ene
SMILESC=CC.CC.CCCCCCCCCNC(=O)CC(C)C
InChIInChI=1S/C14H29NO.C3H6.C2H6/c1-4-5-6-7-8-9-10-11-15-14(16)12-13(2)3;1-3-2;1-2/h13H,4-12H2,1-3H3,(H,15,16);3H,1H2,2H3;1-2H3
InChIKeyLRRASHXXQJVXJT-UHFFFAOYSA-N
MW299.54 g/mol
LogP6.12
Rot. Bonds10

About ethane;3-methyl-N-nonylbutanamide;prop-1-ene

ethane;3-methyl-N-nonylbutanamide;prop-1-ene (PubChem CID 170638874) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is ethane;3-methyl-N-nonylbutanamide;prop-1-ene.

Molecular Properties

Compound Nameethane;3-methyl-N-nonylbutanamide;prop-1-ene
PubChem CID170638874
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Nameethane;3-methyl-N-nonylbutanamide;prop-1-ene
SMILESC=CC.CC.CCCCCCCCCNC(=O)CC(C)C
InChIInChI=1S/C14H29NO.C3H6.C2H6/c1-4-5-6-7-8-9-10-11-15-14(16)12-13(2)3;1-3-2;1-2/h13H,4-12H2,1-3H3,(H,15,16);3H,1H2,2H3;1-2H3
InChIKeyLRRASHXXQJVXJT-UHFFFAOYSA-N
XLogP6.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N-[2-(3-methylbutanoylamino)ethyl]dodecanamide
CID 90261922
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
ethane;N'-heptyl-N-hexylpentanediamide
CID 154688673
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774
N-hexyl-6-methylheptanamide
CID 141197249
4-(octadecylamino)-4-oxobutane-2-sulfonic acid
CID 175305712
N-nonyltridecanamide
CID 154228217
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-nonylbutanamide;prop-1-ene?
The IUPAC name of ethane;3-methyl-N-nonylbutanamide;prop-1-ene (CID 170638874) is ethane;3-methyl-N-nonylbutanamide;prop-1-ene.
What is the SMILES notation for ethane;3-methyl-N-nonylbutanamide;prop-1-ene?
The canonical SMILES for ethane;3-methyl-N-nonylbutanamide;prop-1-ene is C=CC.CC.CCCCCCCCCNC(=O)CC(C)C.
What is the InChIKey of ethane;3-methyl-N-nonylbutanamide;prop-1-ene?
The InChIKey is LRRASHXXQJVXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO.C3H6.C2H6/c1-4-5-6-7-8-9-10-11-15-14(16)12-13(2)3;1-3-2;1-2/h13H,4-12H2,1-3H3,(H,15,16);3H,1H2,2H3;1-2H3.
What are the key properties of ethane;3-methyl-N-nonylbutanamide;prop-1-ene?
ethane;3-methyl-N-nonylbutanamide;prop-1-ene has a molecular weight of 299.54 g/mol, XLogP of 6.12, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-nonylbutanamide;prop-1-ene is sourced from PubChem (CID 170638874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).