N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide

C26H35N3O4 — CID 54832283

IUPACN-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C26H35N3O4/c1-2-3-4-5-6-17-33-24-13-11-23(12-14-24)28-25(30)20-27-22-9-7-21(8-10-22)26(31)29-15-18-32-19-16-29/h7-14,27H,2-6,15-20H2,1H3,(H,28,30)
InChIKeyUXWLAUNIELVUPA-UHFFFAOYSA-N
MW453.58 g/mol
LogP4.56
Rot. Bonds12

About N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide

N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide (PubChem CID 54832283) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
PubChem CID54832283
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC NameN-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C26H35N3O4/c1-2-3-4-5-6-17-33-24-13-11-23(12-14-24)28-25(30)20-27-22-9-7-21(8-10-22)26(31)29-15-18-32-19-16-29/h7-14,27H,2-6,15-20H2,1H3,(H,28,30)
InChIKeyUXWLAUNIELVUPA-UHFFFAOYSA-N
XLogP4.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833896
N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830572
2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54832122
N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832218
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674
N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54823006
morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone
CID 112767205
N-[4-(azepane-1-carbonyl)phenyl]-2-(3-hexoxyanilino)acetamide
CID 54823217
N-(4-hexoxyphenyl)-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843402
2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821096
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54831969

Frequently Asked Questions

What is the IUPAC name of N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide?
The IUPAC name of N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide (CID 54832283) is N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide?
The canonical SMILES for N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide is CCCCCCCOc1ccc(NC(=O)CNc2ccc(C(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide?
The InChIKey is UXWLAUNIELVUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-2-3-4-5-6-17-33-24-13-11-23(12-14-24)28-25(30)20-27-22-9-7-21(8-10-22)26(31)29-15-18-32-19-16-29/h7-14,27H,2-6,15-20H2,1H3,(H,28,30).
What are the key properties of N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide?
N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide has a molecular weight of 453.58 g/mol, XLogP of 4.56, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide is sourced from PubChem (CID 54832283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).