N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide

C12H25NO2 — CID 153371112

IUPACN-[5-(hydroxymethyl)heptyl]-2-methylpropanamide
SMILESCCC(CO)CCCCNC(=O)C(C)C
InChIInChI=1S/C12H25NO2/c1-4-11(9-14)7-5-6-8-13-12(15)10(2)3/h10-11,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyMEAFWIXIBNWFJI-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds8

About N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide

N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide (PubChem CID 153371112) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)heptyl]-2-methylpropanamide
PubChem CID153371112
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[5-(hydroxymethyl)heptyl]-2-methylpropanamide
SMILESCCC(CO)CCCCNC(=O)C(C)C
InChIInChI=1S/C12H25NO2/c1-4-11(9-14)7-5-6-8-13-12(15)10(2)3/h10-11,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyMEAFWIXIBNWFJI-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide
CID 166773435
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
acetic acid;2-ethylhexane-1,6-diol
CID 175223749
N-(4-iodobutyl)-2-methylpropanamide
CID 106846400
N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide
CID 177233499
N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide
CID 138751316
2-ethyldodecan-1-ol
CID 545553
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
N-(4-bromopentyl)-2-methylpropanamide
CID 106130687
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
tert-butyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate
CID 142613690

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide?
The IUPAC name of N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide (CID 153371112) is N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide?
The canonical SMILES for N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide is CCC(CO)CCCCNC(=O)C(C)C.
What is the InChIKey of N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide?
The InChIKey is MEAFWIXIBNWFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-11(9-14)7-5-6-8-13-12(15)10(2)3/h10-11,14H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide?
N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide is sourced from PubChem (CID 153371112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).