N-(2-butyl-2-methyloctyl)prop-2-enamide

C16H31NO — CID 130271966

IUPACN-(2-butyl-2-methyloctyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)(CCCC)CCCCCC
InChIInChI=1S/C16H31NO/c1-5-8-10-11-13-16(4,12-9-6-2)14-17-15(18)7-3/h7H,3,5-6,8-14H2,1-2,4H3,(H,17,18)
InChIKeyKZTFHLMVMMGEQM-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.46
Rot. Bonds11

About N-(2-butyl-2-methyloctyl)prop-2-enamide

N-(2-butyl-2-methyloctyl)prop-2-enamide (PubChem CID 130271966) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(2-butyl-2-methyloctyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-butyl-2-methyloctyl)prop-2-enamide
PubChem CID130271966
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-(2-butyl-2-methyloctyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)(CCCC)CCCCCC
InChIInChI=1S/C16H31NO/c1-5-8-10-11-13-16(4,12-9-6-2)14-17-15(18)7-3/h7H,3,5-6,8-14H2,1-2,4H3,(H,17,18)
InChIKeyKZTFHLMVMMGEQM-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-2-methylbutyl)prop-2-enamide
CID 146614205
N-(2-hydroxytridecan-2-yl)prop-2-enamide
CID 141282485
N-heptadecylprop-2-enamide
CID 20727742
N-butylprop-2-enamide;hydrofluoride
CID 174533496
2-methyl-2-(prop-2-enoylamino)pentacosanoic acid
CID 158599101
2-methyl-2-(prop-2-enoylamino)tetradecanoic acid
CID 175553153
carbonic acid;N-hexylprop-2-enamide
CID 22445987
N-[2-(4-methylundecan-4-ylsulfonyl)ethyl]prop-2-enamide
CID 138622924
(2-ethyl-2-methyloctyl) prop-2-enoate
CID 129132567
4-amino-4-methylpentadec-1-en-3-one
CID 168863815
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide
CID 134339729

Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-2-methyloctyl)prop-2-enamide?
The IUPAC name of N-(2-butyl-2-methyloctyl)prop-2-enamide (CID 130271966) is N-(2-butyl-2-methyloctyl)prop-2-enamide.
What is the SMILES notation for N-(2-butyl-2-methyloctyl)prop-2-enamide?
The canonical SMILES for N-(2-butyl-2-methyloctyl)prop-2-enamide is C=CC(=O)NCC(C)(CCCC)CCCCCC.
What is the InChIKey of N-(2-butyl-2-methyloctyl)prop-2-enamide?
The InChIKey is KZTFHLMVMMGEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-8-10-11-13-16(4,12-9-6-2)14-17-15(18)7-3/h7H,3,5-6,8-14H2,1-2,4H3,(H,17,18).
What are the key properties of N-(2-butyl-2-methyloctyl)prop-2-enamide?
N-(2-butyl-2-methyloctyl)prop-2-enamide has a molecular weight of 253.43 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-2-methyloctyl)prop-2-enamide is sourced from PubChem (CID 130271966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).