N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide

C16H25N3O3 — CID 54819837

IUPACN-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
SMILESCOCCNCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C16H25N3O3/c1-12(2)10-15(20)18-13-4-6-14(7-5-13)19-16(21)11-17-8-9-22-3/h4-7,12,17H,8-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyKWKCPHDZCFZKDZ-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.85
Rot. Bonds9

About N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide

N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide (PubChem CID 54819837) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
PubChem CID54819837
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
SMILESCOCCNCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C16H25N3O3/c1-12(2)10-15(20)18-13-4-6-14(7-5-13)19-16(21)11-17-8-9-22-3/h4-7,12,17H,8-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyKWKCPHDZCFZKDZ-UHFFFAOYSA-N
XLogP1.85
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.85
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

2-(2-methoxyethylamino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54819703
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676558
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79272393
2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide
CID 119769564
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119669013
ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
CID 119672462
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281170
2-(3-methoxypropylamino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829052
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide
CID 119761543

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide (CID 54819837) is N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide is COCCNCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide?
The InChIKey is KWKCPHDZCFZKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12(2)10-15(20)18-13-4-6-14(7-5-13)19-16(21)11-17-8-9-22-3/h4-7,12,17H,8-11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide?
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide has a molecular weight of 307.39 g/mol, XLogP of 1.85, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 54819837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).