N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide

C16H25N3O3 — CID 119725790

IUPACN-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
SMILESCOCCNCC(=O)Nc1cc(NC(=O)C(C)C)ccc1C
InChIInChI=1S/C16H25N3O3/c1-11(2)16(21)18-13-6-5-12(3)14(9-13)19-15(20)10-17-7-8-22-4/h5-6,9,11,17H,7-8,10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyBFIMGPSHDPLVIZ-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.76
Rot. Bonds8

About N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide

N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide (PubChem CID 119725790) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
PubChem CID119725790
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
SMILESCOCCNCC(=O)Nc1cc(NC(=O)C(C)C)ccc1C
InChIInChI=1S/C16H25N3O3/c1-11(2)16(21)18-13-6-5-12(3)14(9-13)19-15(20)10-17-7-8-22-4/h5-6,9,11,17H,7-8,10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyBFIMGPSHDPLVIZ-UHFFFAOYSA-N
XLogP1.76
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54829023
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 46475613
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide
CID 119711741
2-methyl-N-[4-methyl-3-[[2-(prop-2-enoylamino)acetyl]amino]phenyl]propanamide
CID 166411586
N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119705055
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide
CID 119712036
N-[3-[3-(2-methoxyphenyl)propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55708058
2-methyl-N-[4-methyl-3-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]phenyl]propanamide
CID 47063867
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]-2-methylpropanamide
CID 119949941
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide (CID 119725790) is N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide is COCCNCC(=O)Nc1cc(NC(=O)C(C)C)ccc1C.
What is the InChIKey of N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide?
The InChIKey is BFIMGPSHDPLVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)16(21)18-13-6-5-12(3)14(9-13)19-15(20)10-17-7-8-22-4/h5-6,9,11,17H,7-8,10H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide?
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide has a molecular weight of 307.39 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 119725790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).