methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate

C16H23NO4 — CID 62919485

IUPACmethyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)c1cccc(OC(C)C)c1)C(C)C
InChIInChI=1S/C16H23NO4/c1-10(2)14(16(19)20-5)17-15(18)12-7-6-8-13(9-12)21-11(3)4/h6-11,14H,1-5H3,(H,17,18)
InChIKeyNRNRGDPOFFDXHU-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.40
Rot. Bonds6

About methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate

methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate (PubChem CID 62919485) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate
PubChem CID62919485
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)c1cccc(OC(C)C)c1)C(C)C
InChIInChI=1S/C16H23NO4/c1-10(2)14(16(19)20-5)17-15(18)12-7-6-8-13(9-12)21-11(3)4/h6-11,14H,1-5H3,(H,17,18)
InChIKeyNRNRGDPOFFDXHU-UHFFFAOYSA-N
XLogP2.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
methyl (2S)-2-[(3-aminobenzoyl)amino]-3-methylbutanoate
CID 61142781
methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate
CID 43405965
methyl (2R)-3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 40873480
methyl 3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 17421586
methyl 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoate
CID 43405923
ethane;methyl 2-[[3-(carbamoylamino)benzoyl]amino]-3-methylbutanoate
CID 162429349
methyl (2S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 2208900
3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
CID 18839415
methyl 2-[[3-(3-hydroxyprop-1-ynyl)benzoyl]amino]-3-methylbutanoate
CID 60816558
4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid
CID 62921331
methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate (CID 62919485) is methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate is COC(=O)C(NC(=O)c1cccc(OC(C)C)c1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate?
The InChIKey is NRNRGDPOFFDXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-10(2)14(16(19)20-5)17-15(18)12-7-6-8-13(9-12)21-11(3)4/h6-11,14H,1-5H3,(H,17,18).
What are the key properties of methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate?
methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate has a molecular weight of 293.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate is sourced from PubChem (CID 62919485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).