N,N'-bis(1-phenylcyclopropyl)propanediamide

C21H22N2O2 — CID 166301287

IUPACN,N'-bis(1-phenylcyclopropyl)propanediamide
SMILESO=C(CC(=O)NC1(c2ccccc2)CC1)NC1(c2ccccc2)CC1
InChIInChI=1S/C21H22N2O2/c24-18(22-20(11-12-20)16-7-3-1-4-8-16)15-19(25)23-21(13-14-21)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,22,24)(H,23,25)
InChIKeyGQMCMAUMXLGNTK-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.99
Rot. Bonds6

About N,N'-bis(1-phenylcyclopropyl)propanediamide

N,N'-bis(1-phenylcyclopropyl)propanediamide (PubChem CID 166301287) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N,N'-bis(1-phenylcyclopropyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(1-phenylcyclopropyl)propanediamide
PubChem CID166301287
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN,N'-bis(1-phenylcyclopropyl)propanediamide
SMILESO=C(CC(=O)NC1(c2ccccc2)CC1)NC1(c2ccccc2)CC1
InChIInChI=1S/C21H22N2O2/c24-18(22-20(11-12-20)16-7-3-1-4-8-16)15-19(25)23-21(13-14-21)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,22,24)(H,23,25)
InChIKeyGQMCMAUMXLGNTK-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylcyclopropyl)propanamide
CID 110441332
4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749
4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid
CID 110465792
N-(1-phenylcyclohexyl)butanamide
CID 110478581
1,1-dimethyl-3-(1-phenylcyclopropyl)urea
CID 11217964
2-cyclohexyl-N-(1-phenylcyclobutyl)acetamide
CID 55461959
1,1-diethyl-3-(1-phenylcyclopropyl)urea
CID 110445142
N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]benzamide
CID 134056216
2-ethoxy-N-(1-phenylcyclobutyl)acetamide
CID 52571502
2-hydroxy-N-(1-phenylcyclopropyl)benzamide
CID 110485071
2-(cyclopropylmethylamino)-N-(1-phenylcyclobutyl)acetamide;hydrochloride
CID 119697176
N-(1-phenylcyclopentyl)-2-pyridin-2-ylacetamide
CID 110468250

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-phenylcyclopropyl)propanediamide?
The IUPAC name of N,N'-bis(1-phenylcyclopropyl)propanediamide (CID 166301287) is N,N'-bis(1-phenylcyclopropyl)propanediamide.
What is the SMILES notation for N,N'-bis(1-phenylcyclopropyl)propanediamide?
The canonical SMILES for N,N'-bis(1-phenylcyclopropyl)propanediamide is O=C(CC(=O)NC1(c2ccccc2)CC1)NC1(c2ccccc2)CC1.
What is the InChIKey of N,N'-bis(1-phenylcyclopropyl)propanediamide?
The InChIKey is GQMCMAUMXLGNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-18(22-20(11-12-20)16-7-3-1-4-8-16)15-19(25)23-21(13-14-21)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(1-phenylcyclopropyl)propanediamide?
N,N'-bis(1-phenylcyclopropyl)propanediamide has a molecular weight of 334.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-phenylcyclopropyl)propanediamide is sourced from PubChem (CID 166301287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).