7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide

C18H27N3O3 — CID 119703947

IUPAC7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O3/c19-10-6-2-1-3-9-17(22)20-16-8-5-4-7-15(16)18(23)21-11-13-24-14-12-21/h4-5,7-8H,1-3,6,9-14,19H2,(H,20,22)
InChIKeyYIBPFBDSIHHBEL-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.01
Rot. Bonds8

About 7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide

7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide (PubChem CID 119703947) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide
PubChem CID119703947
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C18H27N3O3/c19-10-6-2-1-3-9-17(22)20-16-8-5-4-7-15(16)18(23)21-11-13-24-14-12-21/h4-5,7-8H,1-3,6,9-14,19H2,(H,20,22)
InChIKeyYIBPFBDSIHHBEL-UHFFFAOYSA-N
XLogP2.01
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119684692
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
6-amino-N-(2-morpholin-4-ylphenyl)hexanamide
CID 43708115
3-(2-aminophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 120608564
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide
CID 54791918
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35328696
2-(2-fluorophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 35325829
3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 6461370
3-(furan-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35329167
N-[2-(morpholine-4-carbonyl)phenyl]-3-naphthalen-1-ylpropanamide
CID 53278693
N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide (CID 119703947) is 7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide is NCCCCCCC(=O)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of 7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide?
The InChIKey is YIBPFBDSIHHBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c19-10-6-2-1-3-9-17(22)20-16-8-5-4-7-15(16)18(23)21-11-13-24-14-12-21/h4-5,7-8H,1-3,6,9-14,19H2,(H,20,22).
What are the key properties of 7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide?
7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide has a molecular weight of 333.43 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide is sourced from PubChem (CID 119703947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).