cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate

C19H29NO2 — CID 90908653

IUPACcyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate
SMILESCc1ccc(CNC(CC(C)C)C(=O)OC2CCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-14(2)12-18(19(21)22-17-6-4-5-7-17)20-13-16-10-8-15(3)9-11-16/h8-11,14,17-18,20H,4-7,12-13H2,1-3H3
InChIKeyDENNOFZAWAHPNT-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.99
Rot. Bonds7

About cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate

cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate (PubChem CID 90908653) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate.

Molecular Properties

Compound Namecyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate
PubChem CID90908653
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Namecyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate
SMILESCc1ccc(CNC(CC(C)C)C(=O)OC2CCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-14(2)12-18(19(21)22-17-6-4-5-7-17)20-13-16-10-8-15(3)9-11-16/h8-11,14,17-18,20H,4-7,12-13H2,1-3H3
InChIKeyDENNOFZAWAHPNT-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
cyclopentyl 2-[[3-[[(Z,4E)-4-ethylidene-2,6-dimethyl-7-oxooct-5-en-3-ylidene]amino]-4-methylphenyl]methylamino]-4-methylpentanoate
CID 138642447
cyclopentyl (2R)-2-[2-[4-[2-amino-3-(4-methylbenzoyl)-6-oxo-1-pyridinyl]phenyl]ethylamino]-4-methylpentanoate
CID 67445685
cyclopentyl (2R)-4-methyl-2-[[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pentanoate
CID 67344477
cyclopentyl (2S)-4-methyl-2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethylamino]pentanoate
CID 59273143
cyclopentyl 2-[[4-[2-[[4-[2-[bis[2-[(3-hydroxy-6-methyl-2-oxo-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethylcarbamoyl]-2,3-dihydroxybenzoyl]amino]ethyl]phenyl]methylamino]-4-methylpentanoate;gadolinium(3+)
CID 159847871
cyclopentyl (2S)-2-[[3-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]methylamino]-4-methylpentanoate
CID 24946973
cyclopentyl (2S)-2-[[1-ethyl-2-(5-methyl-6-oxo-1H-pyridin-3-yl)benzimidazol-5-yl]methylamino]-4-methylpentanoate
CID 137313802
cyclopentyl (2R)-2-[[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]-2-methylphenyl]methylamino]-4-methylpentanoate
CID 67370415
methyl 2-[(4-chlorophenyl)methylamino]-4-methylpentanoate
CID 43230599
(2S)-2-[(4-cyclobutylphenyl)methylamino]-4-methylpentanoic acid
CID 122037087
N-cyclopentyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43083735

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate?
The IUPAC name of cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate (CID 90908653) is cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate.
What is the SMILES notation for cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate?
The canonical SMILES for cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate is Cc1ccc(CNC(CC(C)C)C(=O)OC2CCCC2)cc1.
What is the InChIKey of cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate?
The InChIKey is DENNOFZAWAHPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14(2)12-18(19(21)22-17-6-4-5-7-17)20-13-16-10-8-15(3)9-11-16/h8-11,14,17-18,20H,4-7,12-13H2,1-3H3.
What are the key properties of cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate?
cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate has a molecular weight of 303.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate is sourced from PubChem (CID 90908653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).