N,N-dimethyl-3-propoxybenzamide

C12H17NO2 — CID 28639811

IUPACN,N-dimethyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C12H17NO2/c1-4-8-15-11-7-5-6-10(9-11)12(14)13(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyWSKQLGWTLFXFBR-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.18
Rot. Bonds4

About N,N-dimethyl-3-propoxybenzamide

N,N-dimethyl-3-propoxybenzamide (PubChem CID 28639811) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N,N-dimethyl-3-propoxybenzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-propoxybenzamide
PubChem CID28639811
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN,N-dimethyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C12H17NO2/c1-4-8-15-11-7-5-6-10(9-11)12(14)13(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyWSKQLGWTLFXFBR-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyanomethyl)-N-methyl-3-propoxybenzamide
CID 62253083
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
3-propoxybenzamide
CID 22311435
N-(3-aminophenyl)-N-methyl-3-propoxybenzamide
CID 62918808
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide
CID 55124980
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide
CID 55770837
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methyl-3-propoxybenzamide
CID 63223603
acetyl 3-propoxybenzoate
CID 54339605
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-(2-hydroxyethyl)-N-pentan-3-yl-3-propoxybenzamide
CID 62920536

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propoxybenzamide?
The IUPAC name of N,N-dimethyl-3-propoxybenzamide (CID 28639811) is N,N-dimethyl-3-propoxybenzamide.
What is the SMILES notation for N,N-dimethyl-3-propoxybenzamide?
The canonical SMILES for N,N-dimethyl-3-propoxybenzamide is CCCOc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-propoxybenzamide?
The InChIKey is WSKQLGWTLFXFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-8-15-11-7-5-6-10(9-11)12(14)13(2)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of N,N-dimethyl-3-propoxybenzamide?
N,N-dimethyl-3-propoxybenzamide has a molecular weight of 207.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propoxybenzamide is sourced from PubChem (CID 28639811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).