methyl 2-(3-methoxyanilino)-3-methylpentanoate

C14H21NO3 — CID 61319353

IUPACmethyl 2-(3-methoxyanilino)-3-methylpentanoate
SMILESCCC(C)C(Nc1cccc(OC)c1)C(=O)OC
InChIInChI=1S/C14H21NO3/c1-5-10(2)13(14(16)18-4)15-11-7-6-8-12(9-11)17-3/h6-10,13,15H,5H2,1-4H3
InChIKeyKVQLZSMEWQZAHO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.69
Rot. Bonds6

About methyl 2-(3-methoxyanilino)-3-methylpentanoate

methyl 2-(3-methoxyanilino)-3-methylpentanoate (PubChem CID 61319353) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-(3-methoxyanilino)-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(3-methoxyanilino)-3-methylpentanoate
PubChem CID61319353
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-(3-methoxyanilino)-3-methylpentanoate
SMILESCCC(C)C(Nc1cccc(OC)c1)C(=O)OC
InChIInChI=1S/C14H21NO3/c1-5-10(2)13(14(16)18-4)15-11-7-6-8-12(9-11)17-3/h6-10,13,15H,5H2,1-4H3
InChIKeyKVQLZSMEWQZAHO-UHFFFAOYSA-N
XLogP2.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-methoxyanilino)-3-methylbutanoate
CID 61317894
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
(2S,3R)-2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoic acid
CID 938942
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290
N-hexan-3-yl-3-methoxyaniline
CID 115916725
N,N-diethyl-2-(3-methoxyanilino)propanamide
CID 43112833
methyl 2-(4-chloroanilino)-3-methylpentanoate
CID 61319355
methyl 3-(3-butan-2-yloxyanilino)-2-methylbutanoate
CID 79398224
methyl (2S,3R)-2-[(4-methoxyphenyl)carbamoylamino]-3-methylpentanoate
CID 944653
methyl (2S,3S)-2-[[2-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxyacetyl]amino]-3-methylpentanoate
CID 9287534
N-(3-methoxyphenyl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61463325
ethyl 2-(3-methoxyanilino)-3-methylbut-3-enoate
CID 114784559

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxyanilino)-3-methylpentanoate?
The IUPAC name of methyl 2-(3-methoxyanilino)-3-methylpentanoate (CID 61319353) is methyl 2-(3-methoxyanilino)-3-methylpentanoate.
What is the SMILES notation for methyl 2-(3-methoxyanilino)-3-methylpentanoate?
The canonical SMILES for methyl 2-(3-methoxyanilino)-3-methylpentanoate is CCC(C)C(Nc1cccc(OC)c1)C(=O)OC.
What is the InChIKey of methyl 2-(3-methoxyanilino)-3-methylpentanoate?
The InChIKey is KVQLZSMEWQZAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-10(2)13(14(16)18-4)15-11-7-6-8-12(9-11)17-3/h6-10,13,15H,5H2,1-4H3.
What are the key properties of methyl 2-(3-methoxyanilino)-3-methylpentanoate?
methyl 2-(3-methoxyanilino)-3-methylpentanoate has a molecular weight of 251.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxyanilino)-3-methylpentanoate is sourced from PubChem (CID 61319353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).