4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide

C27H34N4O3 — CID 174415342

IUPAC4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide
SMILESNC1CN(C(=O)c2ccc(C(=O)NCCCCN3CC=C(c4ccccc4)CC3)cc2)CCO1
InChIInChI=1S/C27H34N4O3/c28-25-20-31(18-19-34-25)27(33)24-10-8-23(9-11-24)26(32)29-14-4-5-15-30-16-12-22(13-17-30)21-6-2-1-3-7-21/h1-3,6-12,25H,4-5,13-20,28H2,(H,29,32)
InChIKeyYAACFGZYMBHUSY-UHFFFAOYSA-N
MW462.59 g/mol
LogP2.74
Rot. Bonds8

About 4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide

4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide (PubChem CID 174415342) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide
PubChem CID174415342
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide
SMILESNC1CN(C(=O)c2ccc(C(=O)NCCCCN3CC=C(c4ccccc4)CC3)cc2)CCO1
InChIInChI=1S/C27H34N4O3/c28-25-20-31(18-19-34-25)27(33)24-10-8-23(9-11-24)26(32)29-14-4-5-15-30-16-12-22(13-17-30)21-6-2-1-3-7-21/h1-3,6-12,25H,4-5,13-20,28H2,(H,29,32)
InChIKeyYAACFGZYMBHUSY-UHFFFAOYSA-N
XLogP2.74
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 52.74
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-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-9H-fluorene-2-carboxamide
CID 15463157
methyl 4-amino-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butylcarbamoyl]benzoate
CID 19092298
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637
N-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzamide
CID 50975734
4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109045457
4-(morpholin-4-ylmethyl)-2-nitro-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide
CID 19092333
N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide
CID 51296252
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-(trifluoromethyl)benzamide
CID 16892610
4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
N-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-pyrimidin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 50847202
N-[3-(4-aminopiperidin-1-yl)propyl]benzamide
CID 118533812

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide?
The IUPAC name of 4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide (CID 174415342) is 4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide.
What is the SMILES notation for 4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide?
The canonical SMILES for 4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide is NC1CN(C(=O)c2ccc(C(=O)NCCCCN3CC=C(c4ccccc4)CC3)cc2)CCO1.
What is the InChIKey of 4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide?
The InChIKey is YAACFGZYMBHUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c28-25-20-31(18-19-34-25)27(33)24-10-8-23(9-11-24)26(32)29-14-4-5-15-30-16-12-22(13-17-30)21-6-2-1-3-7-21/h1-3,6-12,25H,4-5,13-20,28H2,(H,29,32).
What are the key properties of 4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide?
4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide has a molecular weight of 462.59 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminomorpholine-4-carbonyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzamide is sourced from PubChem (CID 174415342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).