N-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine

C21H27N3O2 — CID 168965067

IUPACN-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine
SMILESO=NC(CCNCCN1CCOCC1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c25-23-21(9-10-22-11-12-24-13-15-26-16-14-24)20-8-4-7-19(17-20)18-5-2-1-3-6-18/h1-8,17,21-22H,9-16H2
InChIKeyBWNQTZRSBWYWCU-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.47
Rot. Bonds9

About N-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine

N-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine (PubChem CID 168965067) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine
PubChem CID168965067
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine
SMILESO=NC(CCNCCN1CCOCC1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c25-23-21(9-10-22-11-12-24-13-15-26-16-14-24)20-8-4-7-19(17-20)18-5-2-1-3-6-18/h1-8,17,21-22H,9-16H2
InChIKeyBWNQTZRSBWYWCU-UHFFFAOYSA-N
XLogP3.47
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine
CID 59499292
ethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine
CID 143466541
(2R)-N-(2-morpholin-4-ylethyl)-2-phenylpropan-1-amine
CID 28617584
(1R)-2-(2-morpholin-4-ylethylamino)-1-phenylethanol
CID 39353337
2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222862
3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-ol
CID 3039644
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenylphenyl)urea
CID 16735041
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
1-(2-morpholin-4-ylethyl)-7-(3-phenylphenyl)-3,4-dihydroquinolin-2-one
CID 175346344
2-(2-morpholin-4-ylethylamino)-1-naphthalen-2-ylethanone
CID 82101636
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
N'-benzyl-N'-methyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28577606

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine (CID 168965067) is N-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine is O=NC(CCNCCN1CCOCC1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine?
The InChIKey is BWNQTZRSBWYWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-23-21(9-10-22-11-12-24-13-15-26-16-14-24)20-8-4-7-19(17-20)18-5-2-1-3-6-18/h1-8,17,21-22H,9-16H2.
What are the key properties of N-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine?
N-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine has a molecular weight of 353.47 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine is sourced from PubChem (CID 168965067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).