N-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide

C19H29NO2 — CID 123421574

IUPACN-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide
SMILESCCCOc1ccccc1CN(C(=O)C(C)CCC)C1CC1
InChIInChI=1S/C19H29NO2/c1-4-8-15(3)19(21)20(17-11-12-17)14-16-9-6-7-10-18(16)22-13-5-2/h6-7,9-10,15,17H,4-5,8,11-14H2,1-3H3
InChIKeyBEKHDFRHAUFSGR-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.40
Rot. Bonds9

About N-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide

N-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide (PubChem CID 123421574) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide
PubChem CID123421574
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide
SMILESCCCOc1ccccc1CN(C(=O)C(C)CCC)C1CC1
InChIInChI=1S/C19H29NO2/c1-4-8-15(3)19(21)20(17-11-12-17)14-16-9-6-7-10-18(16)22-13-5-2/h6-7,9-10,15,17H,4-5,8,11-14H2,1-3H3
InChIKeyBEKHDFRHAUFSGR-UHFFFAOYSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide?
The IUPAC name of N-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide (CID 123421574) is N-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide?
The canonical SMILES for N-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide is CCCOc1ccccc1CN(C(=O)C(C)CCC)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide?
The InChIKey is BEKHDFRHAUFSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-4-8-15(3)19(21)20(17-11-12-17)14-16-9-6-7-10-18(16)22-13-5-2/h6-7,9-10,15,17H,4-5,8,11-14H2,1-3H3.
What are the key properties of N-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide?
N-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide has a molecular weight of 303.45 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 123421574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).