N-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide

C14H19NO2 — CID 134354036

IUPACN-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide
SMILESCCCOc1cc(C2CC2)ccc1N(C)C=O
InChIInChI=1S/C14H19NO2/c1-3-8-17-14-9-12(11-4-5-11)6-7-13(14)15(2)10-16/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyFGVMSBZOEFQJQB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.95
Rot. Bonds6

About N-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide

N-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide (PubChem CID 134354036) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide
PubChem CID134354036
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide
SMILESCCCOc1cc(C2CC2)ccc1N(C)C=O
InChIInChI=1S/C14H19NO2/c1-3-8-17-14-9-12(11-4-5-11)6-7-13(14)15(2)10-16/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyFGVMSBZOEFQJQB-UHFFFAOYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-propoxyphenyl)-N-methylformamide
CID 146641410
N-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide
CID 54539181
(4-cyclopropylphenyl)-(4-propoxyphenyl)methanol
CID 79970800
4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene
CID 18960186
1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
CID 57074379
4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene
CID 57265159
4-cyclopentyl-2-[2-(dimethylamino)ethoxy]aniline
CID 170761212
4-cyclopropyl-1,2-difluorobenzene;ethyl formate
CID 145194546
2-but-3-en-2-yl-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139756935
2-(5-hydroxypentoxy)-5-(4-pentylcyclohexyl)benzaldehyde
CID 169019412
1-dodecoxy-2-fluoro-4-(4-propylcyclohexyl)benzene
CID 57028175
1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358545

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide?
The IUPAC name of N-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide (CID 134354036) is N-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide.
What is the SMILES notation for N-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide?
The canonical SMILES for N-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide is CCCOc1cc(C2CC2)ccc1N(C)C=O.
What is the InChIKey of N-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide?
The InChIKey is FGVMSBZOEFQJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-8-17-14-9-12(11-4-5-11)6-7-13(14)15(2)10-16/h6-7,9-11H,3-5,8H2,1-2H3.
What are the key properties of N-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide?
N-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide has a molecular weight of 233.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide is sourced from PubChem (CID 134354036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).