N-(2,2-dimethoxyethyl)-2-propoxybenzamide

C14H21NO4 — CID 71581289

IUPACN-(2,2-dimethoxyethyl)-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NCC(OC)OC
InChIInChI=1S/C14H21NO4/c1-4-9-19-12-8-6-5-7-11(12)14(16)15-10-13(17-2)18-3/h5-8,13H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyKEIKKSIPSNKAPQ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.82
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-2-propoxybenzamide

N-(2,2-dimethoxyethyl)-2-propoxybenzamide (PubChem CID 71581289) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-propoxybenzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-propoxybenzamide
PubChem CID71581289
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-(2,2-dimethoxyethyl)-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NCC(OC)OC
InChIInChI=1S/C14H21NO4/c1-4-9-19-12-8-6-5-7-11(12)14(16)15-10-13(17-2)18-3/h5-8,13H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyKEIKKSIPSNKAPQ-UHFFFAOYSA-N
XLogP1.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-propoxy-N-propylbenzamide
CID 58831728
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
N-butan-2-yl-2-propoxybenzamide
CID 71581291
N-(furan-2-ylmethyl)-2-propoxybenzamide
CID 4947937
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one
CID 116708411
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride
CID 52984933
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide
CID 17012250
N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide
CID 35577875
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide
CID 35042114
3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid
CID 3102729

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-propoxybenzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-propoxybenzamide (CID 71581289) is N-(2,2-dimethoxyethyl)-2-propoxybenzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-propoxybenzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-propoxybenzamide is CCCOc1ccccc1C(=O)NCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-propoxybenzamide?
The InChIKey is KEIKKSIPSNKAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-9-19-12-8-6-5-7-11(12)14(16)15-10-13(17-2)18-3/h5-8,13H,4,9-10H2,1-3H3,(H,15,16).
What are the key properties of N-(2,2-dimethoxyethyl)-2-propoxybenzamide?
N-(2,2-dimethoxyethyl)-2-propoxybenzamide has a molecular weight of 267.32 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-propoxybenzamide is sourced from PubChem (CID 71581289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).