N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide

C15H29NO3 — CID 114951490

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C15H29NO3/c1-3-4-5-6-7-8-14(17)16(2)13-15(18)9-11-19-12-10-15/h18H,3-13H2,1-2H3
InChIKeyLNMWNZCUYVKGQJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.35
Rot. Bonds8

About N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide

N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide (PubChem CID 114951490) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide
PubChem CID114951490
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C15H29NO3/c1-3-4-5-6-7-8-14(17)16(2)13-15(18)9-11-19-12-10-15/h18H,3-13H2,1-2H3
InChIKeyLNMWNZCUYVKGQJ-UHFFFAOYSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.35
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-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide
CID 114951680
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide
CID 114951614
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114948737
ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate
CID 114951750
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide
CID 114951401
ethyl 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-oxoacetate
CID 114951174
(2S)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]hexanoic acid
CID 107146646
3-amino-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114951120
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide
CID 114949066
2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
1-(4-methyloxan-4-yl)hexadecan-1-one
CID 142775904
4-dodecyloxepan-4-ol
CID 65151403

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide (CID 114951490) is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide is CCCCCCCC(=O)N(C)CC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide?
The InChIKey is LNMWNZCUYVKGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-14(17)16(2)13-15(18)9-11-19-12-10-15/h18H,3-13H2,1-2H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide has a molecular weight of 271.40 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide is sourced from PubChem (CID 114951490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).