N-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide

C21H30N3O5P — CID 163779995

IUPACN-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide
SMILESO=C(COCC(=O)Nc1ccc(CCC(=O)NCCC(=O)C2CCCC2)cc1)NP
InChIInChI=1S/C21H30N3O5P/c25-18(16-3-1-2-4-16)11-12-22-19(26)10-7-15-5-8-17(9-6-15)23-20(27)13-29-14-21(28)24-30/h5-6,8-9,16H,1-4,7,10-14,30H2,(H,22,26)(H,23,27)(H,24,28)
InChIKeyMNUWWDOXXCHZRW-UHFFFAOYSA-N
MW435.46 g/mol
LogP1.75
Rot. Bonds12

About N-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide

N-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide (PubChem CID 163779995) has the molecular formula C21H30N3O5P and a molecular weight of 435.46 g/mol. Its IUPAC name is N-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide
PubChem CID163779995
Molecular FormulaC21H30N3O5P
Molecular Weight435.46 g/mol
Exact Mass435.19
IUPAC NameN-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide
SMILESO=C(COCC(=O)Nc1ccc(CCC(=O)NCCC(=O)C2CCCC2)cc1)NP
InChIInChI=1S/C21H30N3O5P/c25-18(16-3-1-2-4-16)11-12-22-19(26)10-7-15-5-8-17(9-6-15)23-20(27)13-29-14-21(28)24-30/h5-6,8-9,16H,1-4,7,10-14,30H2,(H,22,26)(H,23,27)(H,24,28)
InChIKeyMNUWWDOXXCHZRW-UHFFFAOYSA-N
XLogP1.75
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide
CID 123879628
N-[3-(4-cyclopentylbutylamino)-3-oxopropyl]-3-[4-[[2-[2-[3-(3-methylphenyl)propylamino]-2-oxoethoxy]acetyl]amino]phenyl]propanamide
CID 123942323
N-(3-cyclohexyl-3-oxopropyl)-3-[4-[3-[2-[2-[3-(3-cyclopentyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]phenyl]propanamide
CID 126699016
CID 161252204
CID 161252204
3-[4-[[2-[3-(methyldisulfanyl)-2,4-dioxopentoxy]acetyl]amino]phenyl]-N-(3-oxopentyl)propanamide
CID 160905008
4-[3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropyl]benzoic acid
CID 119180032
N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide
CID 123319122
N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55806046
2-[[2-[2-(2-hydroxyethylamino)-2-oxoethoxy]acetyl]amino]-N-[4-(hydroxymethyl)phenyl]acetamide
CID 171795110
[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 3621562
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 108538969
N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide
CID 100591529

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide?
The IUPAC name of N-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide (CID 163779995) is N-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide is O=C(COCC(=O)Nc1ccc(CCC(=O)NCCC(=O)C2CCCC2)cc1)NP.
What is the InChIKey of N-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide?
The InChIKey is MNUWWDOXXCHZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N3O5P/c25-18(16-3-1-2-4-16)11-12-22-19(26)10-7-15-5-8-17(9-6-15)23-20(27)13-29-14-21(28)24-30/h5-6,8-9,16H,1-4,7,10-14,30H2,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of N-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide?
N-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide has a molecular weight of 435.46 g/mol, XLogP of 1.75, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 163779995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).