N,N-bis(2-hydroxyethyl)-7-methyloctanamide

C13H27NO3 — CID 54230939

IUPACN,N-bis(2-hydroxyethyl)-7-methyloctanamide
SMILESCC(C)CCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C13H27NO3/c1-12(2)6-4-3-5-7-13(17)14(8-10-15)9-11-16/h12,15-16H,3-11H2,1-2H3
InChIKeyQJFCAHFBXFWOCR-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.41
Rot. Bonds10

About N,N-bis(2-hydroxyethyl)-7-methyloctanamide

N,N-bis(2-hydroxyethyl)-7-methyloctanamide (PubChem CID 54230939) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-7-methyloctanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-7-methyloctanamide
PubChem CID54230939
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN,N-bis(2-hydroxyethyl)-7-methyloctanamide
SMILESCC(C)CCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C13H27NO3/c1-12(2)6-4-3-5-7-13(17)14(8-10-15)9-11-16/h12,15-16H,3-11H2,1-2H3
InChIKeyQJFCAHFBXFWOCR-UHFFFAOYSA-N
XLogP1.41
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-aminoethyl)-13-methyltetradecanamide;dihydrochloride
CID 11188780
N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide
CID 139337163
N,N-bis(2-hydroxypropyl)-16-methylheptadecanamide
CID 90111514
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide
CID 152732092
N,9-dimethyl-N-propan-2-yldecanamide
CID 170241261
N,8-dimethyl-N-propan-2-ylnonanamide
CID 170241265
5-amino-N-butyl-N-(2-hydroxyethyl)hexanamide
CID 82851620
N',N'-bis(2-hydroxyethyl)-N,N-dimethylpentanediamide
CID 169291277
2-[1-carboxyethyl-[2-[dodecanoyl(2-hydroxyethyl)amino]ethyl]amino]propanoic acid
CID 19746994
4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride
CID 119672594
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
(E)-N,N-bis(4-acetamidobutyl)-15-methylhexadec-6-enamide
CID 145453486

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-7-methyloctanamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-7-methyloctanamide (CID 54230939) is N,N-bis(2-hydroxyethyl)-7-methyloctanamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-7-methyloctanamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-7-methyloctanamide is CC(C)CCCCCC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-7-methyloctanamide?
The InChIKey is QJFCAHFBXFWOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-12(2)6-4-3-5-7-13(17)14(8-10-15)9-11-16/h12,15-16H,3-11H2,1-2H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-7-methyloctanamide?
N,N-bis(2-hydroxyethyl)-7-methyloctanamide has a molecular weight of 245.36 g/mol, XLogP of 1.41, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-7-methyloctanamide is sourced from PubChem (CID 54230939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).