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

C29H34N4O3 — CID 92990014

IUPAC(2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1ccccc1)N1CCO[C@H](CN2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1
InChIInChI=1S/C29H34N4O3/c34-28(26-12-11-24-9-4-5-10-25(24)19-26)32-14-6-13-31(15-16-32)21-27-22-33(17-18-36-27)29(35)30-20-23-7-2-1-3-8-23/h1-5,7-12,19,27H,6,13-18,20-22H2,(H,30,35)/t27-/m1/s1
InChIKeyNEFYOTPMSGJGOZ-HHHXNRCGSA-N
MW486.62 g/mol
LogP3.60
Rot. Bonds5

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

(2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide (PubChem CID 92990014) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide
PubChem CID92990014
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC Name(2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1ccccc1)N1CCO[C@H](CN2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1
InChIInChI=1S/C29H34N4O3/c34-28(26-12-11-24-9-4-5-10-25(24)19-26)32-14-6-13-31(15-16-32)21-27-22-33(17-18-36-27)29(35)30-20-23-7-2-1-3-8-23/h1-5,7-12,19,27H,6,13-18,20-22H2,(H,30,35)/t27-/m1/s1
InChIKeyNEFYOTPMSGJGOZ-HHHXNRCGSA-N
XLogP3.60
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

2-[[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl]-N-benzylmorpholine-4-carboxamide
CID 46060446
(2S)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990013
(2R)-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990012
N-benzyl-2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide
CID 46060441
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
(2R)-2-[[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 92989998
2-[[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 42862634
2-(pyrrolidin-1-ylmethyl)-N-(quinolin-3-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 119070619
1-[2-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]morpholin-4-yl]-2-phenoxyethanone
CID 46059870
1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861511
(3,4-dimethoxyphenyl)-[4-[[(2S)-4-(2-methylbenzoyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 93338476

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide (CID 92990014) is (2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide is O=C(NCc1ccccc1)N1CCO[C@H](CN2CCCN(C(=O)c3ccc4ccccc4c3)CC2)C1.
What is the InChIKey of (2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide?
The InChIKey is NEFYOTPMSGJGOZ-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H34N4O3/c34-28(26-12-11-24-9-4-5-10-25(24)19-26)32-14-6-13-31(15-16-32)21-27-22-33(17-18-36-27)29(35)30-20-23-7-2-1-3-8-23/h1-5,7-12,19,27H,6,13-18,20-22H2,(H,30,35)/t27-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide?
(2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 92990014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).