methane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate

C19H29NO4 — CID 159436231

IUPACmethane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate
SMILESC.COCC(=O)Nc1ccc(C2(C(=O)OC(C)C)CCCC2)cc1
InChIInChI=1S/C18H25NO4.CH4/c1-13(2)23-17(21)18(10-4-5-11-18)14-6-8-15(9-7-14)19-16(20)12-22-3;/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,20);1H4
InChIKeyLRPNGECNUOYDQG-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.67
Rot. Bonds6

About methane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate

methane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate (PubChem CID 159436231) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is methane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate
PubChem CID159436231
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Namemethane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate
SMILESC.COCC(=O)Nc1ccc(C2(C(=O)OC(C)C)CCCC2)cc1
InChIInChI=1S/C18H25NO4.CH4/c1-13(2)23-17(21)18(10-4-5-11-18)14-6-8-15(9-7-14)19-16(20)12-22-3;/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,20);1H4
InChIKeyLRPNGECNUOYDQG-UHFFFAOYSA-N
XLogP3.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[4-[1-(1-methylcyclopropyl)ethylamino]phenyl]acetamide
CID 43717432
1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 20972770
[2-(4-tert-butylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2422072
[2-(4-acetylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2417695
1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 20972788
[2-(4-chloroanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2336023
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2358022
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587838
2-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 114014349
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
CID 42948482

Frequently Asked Questions

What is the IUPAC name of methane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate?
The IUPAC name of methane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate (CID 159436231) is methane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate?
The canonical SMILES for methane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate is C.COCC(=O)Nc1ccc(C2(C(=O)OC(C)C)CCCC2)cc1.
What is the InChIKey of methane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate?
The InChIKey is LRPNGECNUOYDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4.CH4/c1-13(2)23-17(21)18(10-4-5-11-18)14-6-8-15(9-7-14)19-16(20)12-22-3;/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,20);1H4.
What are the key properties of methane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate?
methane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate has a molecular weight of 335.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propan-2-yl 1-[4-[(2-methoxyacetyl)amino]phenyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 159436231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).