N-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide

C20H29N3O4 — CID 118767991

IUPACN-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc(C)c(NC(=O)C2CCCC2)c1
InChIInChI=1S/C20H29N3O4/c1-3-27-18-12-26-11-17(18)23-20(25)21-15-9-8-13(2)16(10-15)22-19(24)14-6-4-5-7-14/h8-10,14,17-18H,3-7,11-12H2,1-2H3,(H,22,24)(H2,21,23,25)/t17-,18-/m0/s1
InChIKeyHEHPAUPWAZLFGR-ROUUACIJSA-N
MW375.47 g/mol
LogP3.05
Rot. Bonds6

About N-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide

N-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide (PubChem CID 118767991) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide
PubChem CID118767991
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc(C)c(NC(=O)C2CCCC2)c1
InChIInChI=1S/C20H29N3O4/c1-3-27-18-12-26-11-17(18)23-20(25)21-15-9-8-13(2)16(10-15)22-19(24)14-6-4-5-7-14/h8-10,14,17-18H,3-7,11-12H2,1-2H3,(H,22,24)(H2,21,23,25)/t17-,18-/m0/s1
InChIKeyHEHPAUPWAZLFGR-ROUUACIJSA-N
XLogP3.05
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea
CID 118778137
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea
CID 156608000
N-[2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide
CID 118777640
1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea
CID 156607637
1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 118771882
N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide
CID 118785519
N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide
CID 125169332
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide
CID 131911889
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347
1-(3,4-dimethoxyphenyl)-3-[(3S,4R)-4-methoxyoxolan-3-yl]urea
CID 131911929
4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide
CID 122559839

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide (CID 118767991) is N-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide is CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc(C)c(NC(=O)C2CCCC2)c1.
What is the InChIKey of N-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide?
The InChIKey is HEHPAUPWAZLFGR-ROUUACIJSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-3-27-18-12-26-11-17(18)23-20(25)21-15-9-8-13(2)16(10-15)22-19(24)14-6-4-5-7-14/h8-10,14,17-18H,3-7,11-12H2,1-2H3,(H,22,24)(H2,21,23,25)/t17-,18-/m0/s1.
What are the key properties of N-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide?
N-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]carbamoylamino]-2-methylphenyl]cyclopentanecarboxamide is sourced from PubChem (CID 118767991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).