N-(1,4-diethoxybutan-2-yl)heptanamide

C15H31NO3 — CID 166684479

IUPACN-(1,4-diethoxybutan-2-yl)heptanamide
SMILESCCCCCCC(=O)NC(CCOCC)COCC
InChIInChI=1S/C15H31NO3/c1-4-7-8-9-10-15(17)16-14(13-19-6-3)11-12-18-5-2/h14H,4-13H2,1-3H3,(H,16,17)
InChIKeyJRNXVMINUBYLOB-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.90
Rot. Bonds13

About N-(1,4-diethoxybutan-2-yl)heptanamide

N-(1,4-diethoxybutan-2-yl)heptanamide (PubChem CID 166684479) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(1,4-diethoxybutan-2-yl)heptanamide.

Molecular Properties

Compound NameN-(1,4-diethoxybutan-2-yl)heptanamide
PubChem CID166684479
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC NameN-(1,4-diethoxybutan-2-yl)heptanamide
SMILESCCCCCCC(=O)NC(CCOCC)COCC
InChIInChI=1S/C15H31NO3/c1-4-7-8-9-10-15(17)16-14(13-19-6-3)11-12-18-5-2/h14H,4-13H2,1-3H3,(H,16,17)
InChIKeyJRNXVMINUBYLOB-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-3-yldocosanamide
CID 123339332
[(2S)-2-(hexadecanoylamino)hexyl] dihydrogen phosphate
CID 10365691
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
N-pentan-2-ylundecanamide
CID 173258559
N-(4-bromo-1-methoxybutan-2-yl)pentanamide
CID 106156486
4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide
CID 112728067
sodium 2-[2-[2-(dodecanoylamino)butoxy]ethoxy]ethyl sulfate
CID 165390325
5-[2-(2-ethoxyethoxy)ethylamino]-2-(nonanoylamino)-5-oxopentanoic acid
CID 170413527
N-octadecan-2-ylhexadecanamide
CID 87600664
N-(1-hydroxybutyl)decanamide
CID 87762139
5-O-dodecyl 1-O-ethyl (2S)-2-(dodecanoylamino)pentanedioate
CID 155235101
N-heptan-2-yldodecanamide
CID 3484810

Frequently Asked Questions

What is the IUPAC name of N-(1,4-diethoxybutan-2-yl)heptanamide?
The IUPAC name of N-(1,4-diethoxybutan-2-yl)heptanamide (CID 166684479) is N-(1,4-diethoxybutan-2-yl)heptanamide.
What is the SMILES notation for N-(1,4-diethoxybutan-2-yl)heptanamide?
The canonical SMILES for N-(1,4-diethoxybutan-2-yl)heptanamide is CCCCCCC(=O)NC(CCOCC)COCC.
What is the InChIKey of N-(1,4-diethoxybutan-2-yl)heptanamide?
The InChIKey is JRNXVMINUBYLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-4-7-8-9-10-15(17)16-14(13-19-6-3)11-12-18-5-2/h14H,4-13H2,1-3H3,(H,16,17).
What are the key properties of N-(1,4-diethoxybutan-2-yl)heptanamide?
N-(1,4-diethoxybutan-2-yl)heptanamide has a molecular weight of 273.42 g/mol, XLogP of 2.90, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diethoxybutan-2-yl)heptanamide is sourced from PubChem (CID 166684479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).