N-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide

C19H29NO2 — CID 78860123

IUPACN-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)N(CCc1ccccc1)C1CCCC1
InChIInChI=1S/C19H29NO2/c1-16(2)22-15-13-19(21)20(18-10-6-7-11-18)14-12-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15H2,1-2H3
InChIKeyKIVQAOCSTKJODK-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.82
Rot. Bonds8

About N-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide

N-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide (PubChem CID 78860123) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide
PubChem CID78860123
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)N(CCc1ccccc1)C1CCCC1
InChIInChI=1S/C19H29NO2/c1-16(2)22-15-13-19(21)20(18-10-6-7-11-18)14-12-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15H2,1-2H3
InChIKeyKIVQAOCSTKJODK-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, N-(2-ethoxyethyl)-N-phenethyl-
CID 48100
Acetamide, N-(2-butoxyethyl)-N-phenethyl-
CID 3050602
N-benzyl-3-(2-methoxyethoxy)-N-methylpropanamide
CID 47984379
3-(2-Methoxyethoxy)-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 53575069
N-(oxolan-3-yl)-N-(2-phenylethyl)cyclopropanecarboxamide
CID 71859359
1-[(2S,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 97470869
1-[(2S,3R)-2-benzyl-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 97470883
N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide
CID 166440490
1-(4-Cyclopentyloxypiperidin-1-yl)-5-phenylpent-4-en-1-one
CID 72007321
1-[(3R)-3-phenyl-2-azaspiro[3.3]heptan-2-yl]-3-propan-2-yloxypropan-1-one
CID 164631878
1-[(3R,4S)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 164639187
1-[(3R,4S)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-3-ethoxypropan-1-one
CID 164641548

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide?
The IUPAC name of N-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide (CID 78860123) is N-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide?
The canonical SMILES for N-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)N(CCc1ccccc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide?
The InChIKey is KIVQAOCSTKJODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-16(2)22-15-13-19(21)20(18-10-6-7-11-18)14-12-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15H2,1-2H3.
What are the key properties of N-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide?
N-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide has a molecular weight of 303.45 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-phenylethyl)-3-propan-2-yloxypropanamide is sourced from PubChem (CID 78860123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).