N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane

C17H35NO — CID 145339441

IUPACN-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane
SMILESC=C(CC)N(CCCCCC(C)C)C(=O)CC.CC
InChIInChI=1S/C15H29NO.C2H6/c1-6-14(5)16(15(17)7-2)12-10-8-9-11-13(3)4;1-2/h13H,5-12H2,1-4H3;1-2H3
InChIKeyRKPPOAGYDWBSPH-UHFFFAOYSA-N
MW269.47 g/mol
LogP5.39
Rot. Bonds9

About N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane

N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane (PubChem CID 145339441) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane.

Molecular Properties

Compound NameN-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane
PubChem CID145339441
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane
SMILESC=C(CC)N(CCCCCC(C)C)C(=O)CC.CC
InChIInChI=1S/C15H29NO.C2H6/c1-6-14(5)16(15(17)7-2)12-10-8-9-11-13(3)4;1-2/h13H,5-12H2,1-4H3;1-2H3
InChIKeyRKPPOAGYDWBSPH-UHFFFAOYSA-N
XLogP5.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.47
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[6-methylheptyl(propanoyloxy)amino] propanoate
CID 169002985
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
1-(heptylcarbamoyl)-1-hexyl-3-(7-methyloctyl)urea
CID 123349591
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane?
The IUPAC name of N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane (CID 145339441) is N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane.
What is the SMILES notation for N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane?
The canonical SMILES for N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane is C=C(CC)N(CCCCCC(C)C)C(=O)CC.CC.
What is the InChIKey of N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane?
The InChIKey is RKPPOAGYDWBSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO.C2H6/c1-6-14(5)16(15(17)7-2)12-10-8-9-11-13(3)4;1-2/h13H,5-12H2,1-4H3;1-2H3.
What are the key properties of N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane?
N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane has a molecular weight of 269.47 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane is sourced from PubChem (CID 145339441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).