3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide

C20H28N2O2 — CID 95597220

IUPAC3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide
SMILESCC(=O)N(CCC(=O)N(C1CC1)[C@H](C)C1CC1)Cc1ccccc1
InChIInChI=1S/C20H28N2O2/c1-15(18-8-9-18)22(19-10-11-19)20(24)12-13-21(16(2)23)14-17-6-4-3-5-7-17/h3-7,15,18-19H,8-14H2,1-2H3/t15-/m1/s1
InChIKeyDLLIXRDVTNWTII-OAHLLOKOSA-N
MW328.46 g/mol
LogP3.21
Rot. Bonds8

About 3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide

3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide (PubChem CID 95597220) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide
PubChem CID95597220
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide
SMILESCC(=O)N(CCC(=O)N(C1CC1)[C@H](C)C1CC1)Cc1ccccc1
InChIInChI=1S/C20H28N2O2/c1-15(18-8-9-18)22(19-10-11-19)20(24)12-13-21(16(2)23)14-17-6-4-3-5-7-17/h3-7,15,18-19H,8-14H2,1-2H3/t15-/m1/s1
InChIKeyDLLIXRDVTNWTII-OAHLLOKOSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
3-[3-[acetyl(benzyl)amino]propanoyl-methylamino]propanoic acid
CID 119232553
ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
CID 113118746
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
4-[acetyl(benzyl)amino]butanoic acid
CID 92930357
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide
CID 113117602
3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113114991
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide?
The IUPAC name of 3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide (CID 95597220) is 3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide.
What is the SMILES notation for 3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide?
The canonical SMILES for 3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide is CC(=O)N(CCC(=O)N(C1CC1)[C@H](C)C1CC1)Cc1ccccc1.
What is the InChIKey of 3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide?
The InChIKey is DLLIXRDVTNWTII-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15(18-8-9-18)22(19-10-11-19)20(24)12-13-21(16(2)23)14-17-6-4-3-5-7-17/h3-7,15,18-19H,8-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide?
3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide has a molecular weight of 328.46 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(benzyl)amino]-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]propanamide is sourced from PubChem (CID 95597220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).