cyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid

C20H26N2O4 — CID 118304983

IUPACcyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid
SMILESO=C(NC1CCOCC1)c1cccc(C2CC2N(CC2CC2)C(=O)O)c1
InChIInChI=1S/C20H26N2O4/c23-19(21-16-6-8-26-9-7-16)15-3-1-2-14(10-15)17-11-18(17)22(20(24)25)12-13-4-5-13/h1-3,10,13,16-18H,4-9,11-12H2,(H,21,23)(H,24,25)
InChIKeyKSMFXQQVGIDWRM-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.84
Rot. Bonds6

About cyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid

cyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid (PubChem CID 118304983) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is cyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Namecyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid
PubChem CID118304983
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namecyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid
SMILESO=C(NC1CCOCC1)c1cccc(C2CC2N(CC2CC2)C(=O)O)c1
InChIInChI=1S/C20H26N2O4/c23-19(21-16-6-8-26-9-7-16)15-3-1-2-14(10-15)17-11-18(17)22(20(24)25)12-13-4-5-13/h1-3,10,13,16-18H,4-9,11-12H2,(H,21,23)(H,24,25)
InChIKeyKSMFXQQVGIDWRM-UHFFFAOYSA-N
XLogP2.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropylmethyl-[(1R,2S)-2-[3-[[1-(cyclopropylmethyl)pyrazol-4-yl]carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118304410
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304127
3-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoic acid
CID 118304869
3-(chloromethyl)-N-(oxan-4-yl)benzamide
CID 43610029
tert-butyl N-(cyclopropylmethyl)-N-[(1R,2S)-2-[3-[(4-pyrimidin-2-ylphenyl)carbamoyl]phenyl]cyclopropyl]carbamate
CID 131743704
3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 126834663
cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid
CID 90214357
N-(1-benzylpiperidin-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304068
[2-(5-bromothiophen-2-yl)cyclopropyl]-(cyclopropylmethyl)carbamic acid
CID 122636531
3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-4-methyl-N-(oxan-4-yl)benzamide;hydrochloride
CID 118304183
cyclopropylmethyl-[(1R,2S)-2-[4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118304287

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid?
The IUPAC name of cyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid (CID 118304983) is cyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid.
What is the SMILES notation for cyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid?
The canonical SMILES for cyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid is O=C(NC1CCOCC1)c1cccc(C2CC2N(CC2CC2)C(=O)O)c1.
What is the InChIKey of cyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid?
The InChIKey is KSMFXQQVGIDWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c23-19(21-16-6-8-26-9-7-16)15-3-1-2-14(10-15)17-11-18(17)22(20(24)25)12-13-4-5-13/h1-3,10,13,16-18H,4-9,11-12H2,(H,21,23)(H,24,25).
What are the key properties of cyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid?
cyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid has a molecular weight of 358.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl-[2-[3-(oxan-4-ylcarbamoyl)phenyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 118304983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).