N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide

C20H31N3O2 — CID 87034810

IUPACN-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)NC)CC(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C20H31N3O2/c1-3-13-23(14-18(24)21-2)15-19(25)22-16-20(11-7-8-12-20)17-9-5-4-6-10-17/h4-6,9-10H,3,7-8,11-16H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyKEFDXAXRTRIHNV-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.07
Rot. Bonds9

About N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide

N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide (PubChem CID 87034810) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide
PubChem CID87034810
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)NC)CC(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C20H31N3O2/c1-3-13-23(14-18(24)21-2)15-19(25)22-16-20(11-7-8-12-20)17-9-5-4-6-10-17/h4-6,9-10H,3,7-8,11-16H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyKEFDXAXRTRIHNV-UHFFFAOYSA-N
XLogP2.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid
CID 122120195
2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 136518370
3-[methyl-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]amino]propanoic acid
CID 119911689
2-[[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-propylamino]-N-propylacetamide
CID 87018492
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 34557487
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 32545358
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
2-[2-cyanopropyl(methyl)amino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 47545886
2-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 56510541
2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 109398057

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide?
The IUPAC name of N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide (CID 87034810) is N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide.
What is the SMILES notation for N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide?
The canonical SMILES for N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide is CCCN(CC(=O)NC)CC(=O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide?
The InChIKey is KEFDXAXRTRIHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-13-23(14-18(24)21-2)15-19(25)22-16-20(11-7-8-12-20)17-9-5-4-6-10-17/h4-6,9-10H,3,7-8,11-16H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide?
N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-propylamino]acetamide is sourced from PubChem (CID 87034810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).