N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide

C16H24N2O — CID 110647246

IUPACN-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(C)NC(=O)CCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-13(2)17-16(19)10-7-14-5-8-15(9-6-14)18-11-3-4-12-18/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,17,19)
InChIKeyMQCLGKRYCKYPHL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.74
Rot. Bonds5

About N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide

N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 110647246) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID110647246
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(C)NC(=O)CCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-13(2)17-16(19)10-7-14-5-8-15(9-6-14)18-11-3-4-12-18/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,17,19)
InChIKeyMQCLGKRYCKYPHL-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-(4-piperidin-1-ylphenyl)propanamide
CID 110647332
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide
CID 110404917
3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide
CID 113145813
1-[(4-piperidin-1-ylphenyl)methyl]-3-propan-2-ylurea
CID 47278796
1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
CID 110647409
methyl 4-[3-(4-pyrrolidin-1-ylphenyl)propanoylamino]benzoate
CID 110650646
3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878
3-(4-methylphenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 132654688
N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 170371171
2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide
CID 44539373
ethyl 3-[4-(azepan-1-yl)phenyl]propanoate
CID 59859896

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide (CID 110647246) is N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide is CC(C)NC(=O)CCc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is MQCLGKRYCKYPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)17-16(19)10-7-14-5-8-15(9-6-14)18-11-3-4-12-18/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,17,19).
What are the key properties of N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide?
N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 110647246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).