N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide

C16H22N2O3 — CID 95157805

IUPACN-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)CNC(=O)C2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-3-7-14(8-4-11)21-10-12(2)18-15(19)9-17-16(20)13-5-6-13/h3-4,7-8,12-13H,5-6,9-10H2,1-2H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyRRLPXUKQZSVBQA-GFCCVEGCSA-N
MW290.36 g/mol
LogP1.40
Rot. Bonds7

About N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 95157805) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID95157805
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)CNC(=O)C2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-3-7-14(8-4-11)21-10-12(2)18-15(19)9-17-16(20)13-5-6-13/h3-4,7-8,12-13H,5-6,9-10H2,1-2H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyRRLPXUKQZSVBQA-GFCCVEGCSA-N
XLogP1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 132649936
N-[1-(4-methylphenoxy)propan-2-yl]-2-piperidin-4-ylacetamide
CID 61171094
(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99970521
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
2-(2-chlorophenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 133166961
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 64822656
N-[1-(4-methylphenoxy)propan-2-yl]-2-piperidin-3-ylacetamide
CID 62677074
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132650444
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
(2R)-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-2-carboxamide
CID 103809635

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide (CID 95157805) is N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide is Cc1ccc(OC[C@@H](C)NC(=O)CNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is RRLPXUKQZSVBQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-3-7-14(8-4-11)21-10-12(2)18-15(19)9-17-16(20)13-5-6-13/h3-4,7-8,12-13H,5-6,9-10H2,1-2H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 95157805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).