N-heptyl-2-methoxyacetamide

C10H21NO2 — CID 90291620

IUPACN-heptyl-2-methoxyacetamide
SMILESCCCCCCCNC(=O)COC
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-7-8-11-10(12)9-13-2/h3-9H2,1-2H3,(H,11,12)
InChIKeyKSZAKSMMDSFWBU-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds8

About N-heptyl-2-methoxyacetamide

N-heptyl-2-methoxyacetamide (PubChem CID 90291620) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-heptyl-2-methoxyacetamide.

Molecular Properties

Compound NameN-heptyl-2-methoxyacetamide
PubChem CID90291620
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-heptyl-2-methoxyacetamide
SMILESCCCCCCCNC(=O)COC
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-7-8-11-10(12)9-13-2/h3-9H2,1-2H3,(H,11,12)
InChIKeyKSZAKSMMDSFWBU-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-2-methoxyacetamide
CID 936430
Acetamide, 2-butoxy-N-cyclohexyl-
CID 94879
Acetic acid pentadecylcarbamoylmethyl ester
CID 11088732
N-[3-(4-aminobutylamino)propyl]-2-methoxyacetamide;hydrochloride
CID 118721810
rac-2-methoxy-N-[(1r,4r)-4-aminocyclohexyl]acetamide hydrochloride
CID 86277382
N-(4-aminobutyl)-2-methoxyacetamide;hydrochloride
CID 118721808
N-[4-(3-aminopropylamino)butyl]-2-methoxyacetamide;hydrochloride
CID 118721813
N-(2-methoxyethyl)heptanamide
CID 4245996
2-methoxy-N-(3-methylbutyl)acetamide
CID 14632091
N-(4-aminocyclohexyl)-2-methoxyacetamide
CID 61279804
Agn-PC-0nfndg
CID 11085988
N-butyl-2-methoxyacetamide
CID 13708111

Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-methoxyacetamide?
The IUPAC name of N-heptyl-2-methoxyacetamide (CID 90291620) is N-heptyl-2-methoxyacetamide.
What is the SMILES notation for N-heptyl-2-methoxyacetamide?
The canonical SMILES for N-heptyl-2-methoxyacetamide is CCCCCCCNC(=O)COC.
What is the InChIKey of N-heptyl-2-methoxyacetamide?
The InChIKey is KSZAKSMMDSFWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-5-6-7-8-11-10(12)9-13-2/h3-9H2,1-2H3,(H,11,12).
What are the key properties of N-heptyl-2-methoxyacetamide?
N-heptyl-2-methoxyacetamide has a molecular weight of 187.28 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-methoxyacetamide is sourced from PubChem (CID 90291620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).