N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C25H32N4O3 — CID 20944006

IUPACN-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCCN1CCOCC1
InChIInChI=1S/C25H32N4O3/c30-24(26-12-14-28-15-17-32-18-16-28)19-20-8-10-22(11-9-20)27-25(31)29-13-4-3-6-21-5-1-2-7-23(21)29/h1-2,5,7-11H,3-4,6,12-19H2,(H,26,30)(H,27,31)
InChIKeyHEQYOAPTQULERX-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.05
Rot. Bonds6

About N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 20944006) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID20944006
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCCN1CCOCC1
InChIInChI=1S/C25H32N4O3/c30-24(26-12-14-28-15-17-32-18-16-28)19-20-8-10-22(11-9-20)27-25(31)29-13-4-3-6-21-5-1-2-7-23(21)29/h1-2,5,7-11H,3-4,6,12-19H2,(H,26,30)(H,27,31)
InChIKeyHEQYOAPTQULERX-UHFFFAOYSA-N
XLogP3.05
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide with MolForge

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Related Compounds

N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943959
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338642
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943972
N-[4-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20944044
N-[4-[2-[3-(2-ethylpiperidin-1-yl)propylamino]-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 50791553
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 108973642
N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921259
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
N-[4-[2-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 92707737
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108960416
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 20944006) is N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCCN1CCOCC1.
What is the InChIKey of N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is HEQYOAPTQULERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c30-24(26-12-14-28-15-17-32-18-16-28)19-20-8-10-22(11-9-20)27-25(31)29-13-4-3-6-21-5-1-2-7-23(21)29/h1-2,5,7-11H,3-4,6,12-19H2,(H,26,30)(H,27,31).
What are the key properties of N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 20944006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).