methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate

C18H27N3O4 — CID 22210280

IUPACmethyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate
SMILESCCc1ccccc1NC(=O)NC(CC(C)C)C(=O)NCC(=O)OC
InChIInChI=1S/C18H27N3O4/c1-5-13-8-6-7-9-14(13)20-18(24)21-15(10-12(2)3)17(23)19-11-16(22)25-4/h6-9,12,15H,5,10-11H2,1-4H3,(H,19,23)(H2,20,21,24)
InChIKeySGGYWHZWFUGKHT-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.07
Rot. Bonds8

About methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate

methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate (PubChem CID 22210280) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate
PubChem CID22210280
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Namemethyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate
SMILESCCc1ccccc1NC(=O)NC(CC(C)C)C(=O)NCC(=O)OC
InChIInChI=1S/C18H27N3O4/c1-5-13-8-6-7-9-14(13)20-18(24)21-15(10-12(2)3)17(23)19-11-16(22)25-4/h6-9,12,15H,5,10-11H2,1-4H3,(H,19,23)(H2,20,21,24)
InChIKeySGGYWHZWFUGKHT-UHFFFAOYSA-N
XLogP2.07
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate with MolForge

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Related Compounds

methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate
CID 3806589
2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480074
2-[[2-[[(2S)-1-[(2-methoxy-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoacetic acid
CID 46863223
2-[(2-ethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61182753
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 61183537
(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 61183372
methyl (2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 944657
4-chloro-N-[(2R)-1-(2-ethylanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 8839518
(2S)-2-[(2-ethylphenyl)carbamoylamino]hexanoic acid
CID 107145410
methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-3-methylbutanoyl]amino]propanoate
CID 22210278
1-(1-cyclopropylethyl)-3-(2-ethylphenyl)urea
CID 47133266

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate (CID 22210280) is methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate is CCc1ccccc1NC(=O)NC(CC(C)C)C(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate?
The InChIKey is SGGYWHZWFUGKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-5-13-8-6-7-9-14(13)20-18(24)21-15(10-12(2)3)17(23)19-11-16(22)25-4/h6-9,12,15H,5,10-11H2,1-4H3,(H,19,23)(H2,20,21,24).
What are the key properties of methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate?
methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate has a molecular weight of 349.43 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2-ethylphenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate is sourced from PubChem (CID 22210280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).