(2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide

C28H32N4O3 — CID 92990012

IUPAC(2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
SMILESO=C(Nc1ccccc1)N1CCO[C@H](CN2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1
InChIInChI=1S/C28H32N4O3/c33-27(24-12-11-22-7-4-5-8-23(22)19-24)31-14-6-13-30(15-16-31)20-26-21-32(17-18-35-26)28(34)29-25-9-2-1-3-10-25/h1-5,7-12,19,26H,6,13-18,20-21H2,(H,29,34)/t26-/m1/s1
InChIKeyCPAYVDGAMZXYMO-AREMUKBSSA-N
MW472.59 g/mol
LogP3.92
Rot. Bonds4

About (2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide

(2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide (PubChem CID 92990012) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is (2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
PubChem CID92990012
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name(2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
SMILESO=C(Nc1ccccc1)N1CCO[C@H](CN2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1
InChIInChI=1S/C28H32N4O3/c33-27(24-12-11-22-7-4-5-8-23(22)19-24)31-14-6-13-30(15-16-31)20-26-21-32(17-18-35-26)28(34)29-25-9-2-1-3-10-25/h1-5,7-12,19,26H,6,13-18,20-21H2,(H,29,34)/t26-/m1/s1
InChIKeyCPAYVDGAMZXYMO-AREMUKBSSA-N
XLogP3.92
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990013
(2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide
CID 92990014
(2R)-2-[[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 92989998
naphthalen-2-yl-[4-[[(2S)-4-(thiophene-2-carbonyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 93338782
1-[2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 42861924
2-[[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl]-N-benzylmorpholine-4-carboxamide
CID 46060446
N-benzyl-2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide
CID 46060441
1-[2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholin-4-yl]-2-phenoxyethanone
CID 46059870
2-[[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 42862634
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
(3,4-dimethoxyphenyl)-[4-[[(2S)-4-(2-methylbenzoyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 93338476
N-(4-fluorophenyl)-2-[[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methyl]morpholine-4-carbothioamide
CID 42862609

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide?
The IUPAC name of (2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide (CID 92990012) is (2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide is O=C(Nc1ccccc1)N1CCO[C@H](CN2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1.
What is the InChIKey of (2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide?
The InChIKey is CPAYVDGAMZXYMO-AREMUKBSSA-N. The full InChI is InChI=1S/C28H32N4O3/c33-27(24-12-11-22-7-4-5-8-23(22)19-24)31-14-6-13-30(15-16-31)20-26-21-32(17-18-35-26)28(34)29-25-9-2-1-3-10-25/h1-5,7-12,19,26H,6,13-18,20-21H2,(H,29,34)/t26-/m1/s1.
What are the key properties of (2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide?
(2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 92990012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).