N-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide

C15H23N3O3 — CID 38154617

IUPACN-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide
SMILESCOCCNC(=O)NCc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-11(2)14(19)18-13-6-4-12(5-7-13)10-17-15(20)16-8-9-21-3/h4-7,11H,8-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyXEBSIJOXAFTBSG-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.73
Rot. Bonds7

About N-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide

N-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide (PubChem CID 38154617) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide
PubChem CID38154617
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide
SMILESCOCCNC(=O)NCc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-11(2)14(19)18-13-6-4-12(5-7-13)10-17-15(20)16-8-9-21-3/h4-7,11H,8-10H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyXEBSIJOXAFTBSG-UHFFFAOYSA-N
XLogP1.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830793
N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
CID 38157936
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277407
N-[4-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277416
2-methyl-3-[[4-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropanoic acid
CID 114897148
3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62668740
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-2,2-diphenylacetamide
CID 39231113
N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 42936966
2-amino-3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119277422
tert-butyl N-[2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917737

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide (CID 38154617) is N-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide is COCCNC(=O)NCc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide?
The InChIKey is XEBSIJOXAFTBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)14(19)18-13-6-4-12(5-7-13)10-17-15(20)16-8-9-21-3/h4-7,11H,8-10H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of N-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide?
N-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide has a molecular weight of 293.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 38154617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).