N-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide

C19H31NO2 — CID 139747582

IUPACN-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide
SMILESCCCCCCOCCCc1c(C)cccc1C(=O)NCC
InChIInChI=1S/C19H31NO2/c1-4-6-7-8-14-22-15-10-13-17-16(3)11-9-12-18(17)19(21)20-5-2/h9,11-12H,4-8,10,13-15H2,1-3H3,(H,20,21)
InChIKeyPYWQALZFACTEAD-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.27
Rot. Bonds11

About N-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide

N-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide (PubChem CID 139747582) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide
PubChem CID139747582
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide
SMILESCCCCCCOCCCc1c(C)cccc1C(=O)NCC
InChIInChI=1S/C19H31NO2/c1-4-6-7-8-14-22-15-10-13-17-16(3)11-9-12-18(17)19(21)20-5-2/h9,11-12H,4-8,10,13-15H2,1-3H3,(H,20,21)
InChIKeyPYWQALZFACTEAD-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.27
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

2-nonoxyethyl 2-methylbenzoate
CID 140608638
2,3-dimethyl-N-octadecylbenzamide
CID 174462915
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
nitroso 3-methyl-2-octylbenzoate
CID 174730391
N-hexyl-2-methylbenzamide
CID 3017102
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
hexyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710225
dodecyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710231
N-ethyl-8-methylnaphthalene-1-carboxamide
CID 21338721
2-heptoxy-3-methylbenzoic acid
CID 54560597
2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 4866653
2-hexoxyethyl 2-propylbenzoate
CID 140608686

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide?
The IUPAC name of N-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide (CID 139747582) is N-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide.
What is the SMILES notation for N-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide?
The canonical SMILES for N-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide is CCCCCCOCCCc1c(C)cccc1C(=O)NCC.
What is the InChIKey of N-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide?
The InChIKey is PYWQALZFACTEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-4-6-7-8-14-22-15-10-13-17-16(3)11-9-12-18(17)19(21)20-5-2/h9,11-12H,4-8,10,13-15H2,1-3H3,(H,20,21).
What are the key properties of N-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide?
N-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide has a molecular weight of 305.46 g/mol, XLogP of 4.27, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-hexoxypropyl)-3-methylbenzamide is sourced from PubChem (CID 139747582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).