N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide

C19H27N3O2 — CID 108942640

IUPACN-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
SMILESO=C(CC(=O)NC1CCCCC1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H27N3O2/c23-18(20-15-6-2-1-3-7-15)14-19(24)21-16-8-10-17(11-9-16)22-12-4-5-13-22/h8-11,15H,1-7,12-14H2,(H,20,23)(H,21,24)
InChIKeyDESYRVVOCSCQEZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.06
Rot. Bonds5

About N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide

N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide (PubChem CID 108942640) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
PubChem CID108942640
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
SMILESO=C(CC(=O)NC1CCCCC1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H27N3O2/c23-18(20-15-6-2-1-3-7-15)14-19(24)21-16-8-10-17(11-9-16)22-12-4-5-13-22/h8-11,15H,1-7,12-14H2,(H,20,23)(H,21,24)
InChIKeyDESYRVVOCSCQEZ-UHFFFAOYSA-N
XLogP3.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109013734
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
N-cyclohexyl-2-[2-(4-morpholin-4-ylanilino)-2-oxoethoxy]acetamide
CID 35269451
N'-(4-bromophenyl)-N-cyclopentylpropanediamide
CID 108942239
N-cycloheptyl-N'-(4-ethylphenyl)propanediamide
CID 108951571
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
2-isocyano-N-(4-piperidin-1-ylphenyl)acetamide
CID 108814796
methyl 4-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942635
6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide
CID 109095385
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108954901

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
The IUPAC name of N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide (CID 108942640) is N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide.
What is the SMILES notation for N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
The canonical SMILES for N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide is O=C(CC(=O)NC1CCCCC1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
The InChIKey is DESYRVVOCSCQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(20-15-6-2-1-3-7-15)14-19(24)21-16-8-10-17(11-9-16)22-12-4-5-13-22/h8-11,15H,1-7,12-14H2,(H,20,23)(H,21,24).
What are the key properties of N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide has a molecular weight of 329.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide is sourced from PubChem (CID 108942640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).