3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide

C16H24N4O3 — CID 86983305

IUPAC3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide
SMILESCCC(C)C(NC(=O)CNC(=O)Nc1cccc(C)c1)C(N)=O
InChIInChI=1S/C16H24N4O3/c1-4-11(3)14(15(17)22)20-13(21)9-18-16(23)19-12-7-5-6-10(2)8-12/h5-8,11,14H,4,9H2,1-3H3,(H2,17,22)(H,20,21)(H2,18,19,23)
InChIKeyXMFHROSNEUMVAO-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.13
Rot. Bonds7

About 3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide

3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide (PubChem CID 86983305) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide.

Molecular Properties

Compound Name3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide
PubChem CID86983305
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide
SMILESCCC(C)C(NC(=O)CNC(=O)Nc1cccc(C)c1)C(N)=O
InChIInChI=1S/C16H24N4O3/c1-4-11(3)14(15(17)22)20-13(21)9-18-16(23)19-12-7-5-6-10(2)8-12/h5-8,11,14H,4,9H2,1-3H3,(H2,17,22)(H,20,21)(H2,18,19,23)
InChIKeyXMFHROSNEUMVAO-UHFFFAOYSA-N
XLogP1.13
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 86983414
(2S,3S)-3-methyl-2-[(3-methylphenyl)carbamoylamino]pentanoic acid
CID 28509192
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55984026
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 86983303
1-(2,2-dimethoxyethyl)-3-(3-methylphenyl)urea
CID 4524183
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55677891
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
CID 119438626

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide?
The IUPAC name of 3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide (CID 86983305) is 3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide.
What is the SMILES notation for 3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide?
The canonical SMILES for 3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide is CCC(C)C(NC(=O)CNC(=O)Nc1cccc(C)c1)C(N)=O.
What is the InChIKey of 3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide?
The InChIKey is XMFHROSNEUMVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-4-11(3)14(15(17)22)20-13(21)9-18-16(23)19-12-7-5-6-10(2)8-12/h5-8,11,14H,4,9H2,1-3H3,(H2,17,22)(H,20,21)(H2,18,19,23).
What are the key properties of 3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide?
3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide has a molecular weight of 320.39 g/mol, XLogP of 1.13, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide is sourced from PubChem (CID 86983305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).