N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide

C18H28N4O3 — CID 119761543

IUPACN-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide
SMILESCOCCNCC(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1
InChIInChI=1S/C18H28N4O3/c1-25-13-10-19-14-17(23)20-15-6-8-16(9-7-15)21-18(24)22-11-4-2-3-5-12-22/h6-9,19H,2-5,10-14H2,1H3,(H,20,23)(H,21,24)
InChIKeyHDETXZVKUZIFRB-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.27
Rot. Bonds7

About N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide

N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide (PubChem CID 119761543) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide
PubChem CID119761543
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide
SMILESCOCCNCC(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1
InChIInChI=1S/C18H28N4O3/c1-25-13-10-19-14-17(23)20-15-6-8-16(9-7-15)21-18(24)22-11-4-2-3-5-12-22/h6-9,19H,2-5,10-14H2,1H3,(H,20,23)(H,21,24)
InChIKeyHDETXZVKUZIFRB-UHFFFAOYSA-N
XLogP2.27
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide
CID 110178664
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837
N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119892181
N-[4-[(2-methylsulfanylacetyl)amino]phenyl]azepane-1-carboxamide
CID 60608362
2-(2-methoxyethylamino)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 119715728
N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
CID 55820039
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
2-(2-methoxyethylamino)-N-[4-(methylsulfanylmethyl)phenyl]acetamide
CID 119769564
N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79272393
ethyl 1-[4-[[2-(2-methoxyethylamino)acetyl]amino]benzoyl]piperidine-4-carboxylate
CID 119797301

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide?
The IUPAC name of N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide (CID 119761543) is N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide.
What is the SMILES notation for N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide?
The canonical SMILES for N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide is COCCNCC(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide?
The InChIKey is HDETXZVKUZIFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-25-13-10-19-14-17(23)20-15-6-8-16(9-7-15)21-18(24)22-11-4-2-3-5-12-22/h6-9,19H,2-5,10-14H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide?
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.27, 7 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]azepane-1-carboxamide is sourced from PubChem (CID 119761543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).