5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen

C14H31NO3 — CID 177338046

IUPAC5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen
SMILESCCOCCCCC(=O)NCCOCCC(C)C.[H][H]
InChIInChI=1S/C14H29NO3.H2/c1-4-17-10-6-5-7-14(16)15-9-12-18-11-8-13(2)3;/h13H,4-12H2,1-3H3,(H,15,16);1H
InChIKeyLOSCTDKNEDGCMN-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.62
Rot. Bonds12

About 5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen

5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen (PubChem CID 177338046) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen.

Molecular Properties

Compound Name5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen
PubChem CID177338046
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen
SMILESCCOCCCCC(=O)NCCOCCC(C)C.[H][H]
InChIInChI=1S/C14H29NO3.H2/c1-4-17-10-6-5-7-14(16)15-9-12-18-11-8-13(2)3;/h13H,4-12H2,1-3H3,(H,15,16);1H
InChIKeyLOSCTDKNEDGCMN-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.62
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

5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
CID 79209495
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514
CID 169190202
CID 169190202
4-(3-methylbutoxy)-N-(2-methylsulfanyloxyethyl)butanamide
CID 156820137
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270
N-[2-(3-methylpentoxy)ethyl]-5-propan-2-yloxypentanamide;molecular hydrogen
CID 177338040
N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
CID 155739554
9-hydroxy-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]nonanamide
CID 155740636
4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide
CID 169317050
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen?
The IUPAC name of 5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen (CID 177338046) is 5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen.
What is the SMILES notation for 5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen?
The canonical SMILES for 5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen is CCOCCCCC(=O)NCCOCCC(C)C.[H][H].
What is the InChIKey of 5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen?
The InChIKey is LOSCTDKNEDGCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3.H2/c1-4-17-10-6-5-7-14(16)15-9-12-18-11-8-13(2)3;/h13H,4-12H2,1-3H3,(H,15,16);1H.
What are the key properties of 5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen?
5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen has a molecular weight of 261.41 g/mol, XLogP of 2.62, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen is sourced from PubChem (CID 177338046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).