2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide

C20H31N3O2 — CID 87018492

IUPAC2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)CC(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C20H31N3O2/c1-3-13-21-18(24)15-23(14-4-2)16-19(25)22-20(11-8-12-20)17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyGULRCXHPTQSVSB-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.42
Rot. Bonds10

About 2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide

2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide (PubChem CID 87018492) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide
PubChem CID87018492
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)CC(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C20H31N3O2/c1-3-13-21-18(24)15-23(14-4-2)16-19(25)22-20(11-8-12-20)17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyGULRCXHPTQSVSB-UHFFFAOYSA-N
XLogP2.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide
CID 87034810
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(1-phenylcyclobutyl)acetamide
CID 87014095
N-(1-phenylcyclohexyl)butanamide
CID 110478581
2-[methyl(1-phenylethyl)amino]-N-(1-phenylcyclobutyl)acetamide
CID 60500149
2-ethoxy-N-(1-phenylcyclobutyl)acetamide
CID 52571502
N-(1-phenylcyclopropyl)propanamide
CID 110441332
2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87015013
2-[benzyl(furan-2-ylmethyl)amino]-N-(1-phenylcyclobutyl)acetamide
CID 60501389
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]benzamide
CID 134056216
4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide (CID 87018492) is 2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)CC(=O)NC1(c2ccccc2)CCC1.
What is the InChIKey of 2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide?
The InChIKey is GULRCXHPTQSVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-13-21-18(24)15-23(14-4-2)16-19(25)22-20(11-8-12-20)17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide?
2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide has a molecular weight of 345.49 g/mol, XLogP of 2.42, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide is sourced from PubChem (CID 87018492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).