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

C16H31NO3 — CID 114951680

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide
SMILESCCCCCCCCC(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-15(18)17(2)14-16(19)10-12-20-13-11-16/h19H,3-14H2,1-2H3
InChIKeyUPZMTFGIMWIMEN-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.74
Rot. Bonds9

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

N-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide (PubChem CID 114951680) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide
PubChem CID114951680
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide
SMILESCCCCCCCCC(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-15(18)17(2)14-16(19)10-12-20-13-11-16/h19H,3-14H2,1-2H3
InChIKeyUPZMTFGIMWIMEN-UHFFFAOYSA-N
XLogP2.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-N-methyloctanamide
CID 114951490
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-methylnonanamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide (CID 114951680) is N-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide is CCCCCCCCC(=O)N(C)CC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide?
The InChIKey is UPZMTFGIMWIMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-15(18)17(2)14-16(19)10-12-20-13-11-16/h19H,3-14H2,1-2H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylnonanamide has a molecular weight of 285.43 g/mol, XLogP of 2.74, 9 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-methylnonanamide is sourced from PubChem (CID 114951680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).