N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide

C16H19N3O2 — CID 172990012

IUPACN-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide
SMILESNc1ccc(CCN(C[C@H](O)c2ccccc2)N=O)cc1
InChIInChI=1S/C16H19N3O2/c17-15-8-6-13(7-9-15)10-11-19(18-21)12-16(20)14-4-2-1-3-5-14/h1-9,16,20H,10-12,17H2/t16-/m0/s1
InChIKeyURTRJVLUIFRIPB-INIZCTEOSA-N
MW285.35 g/mol
LogP2.53
Rot. Bonds7

About N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide

N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide (PubChem CID 172990012) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide
PubChem CID172990012
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide
SMILESNc1ccc(CCN(C[C@H](O)c2ccccc2)N=O)cc1
InChIInChI=1S/C16H19N3O2/c17-15-8-6-13(7-9-15)10-11-19(18-21)12-16(20)14-4-2-1-3-5-14/h1-9,16,20H,10-12,17H2/t16-/m0/s1
InChIKeyURTRJVLUIFRIPB-INIZCTEOSA-N
XLogP2.53
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)ethyl-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]carbamic acid
CID 69052441
3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 61036910
N-(2-hydroxy-2-phenylethyl)-N-propan-2-ylnitrous amide
CID 14194446
[2-(4-aminophenyl)ethylamino]-phenylmethanol
CID 132520187
2-[1-(4-aminophenyl)butan-2-ylideneamino]-1-phenylethanol
CID 123376779
2-(4-aminophenyl)sulfanyl-1-phenylethanol
CID 51062435
1-(4-amino-3,5-dichlorophenyl)-2-[2-phenylethyl(3-phenylpropyl)amino]ethanol
CID 158613502
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
2-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[2-(4-nitrophenyl)ethyl]amino]ethyl]phenol
CID 118436960
1,1-bis[2-(4-aminophenyl)ethyl]urea
CID 141311384
4-[(3S)-3-[bis[(2S)-2-hydroxy-2-phenylethyl]amino]butyl]benzenesulfonamide
CID 70451852
4-(2-aminoethyl)benzoic acid;aniline
CID 159090875

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide (CID 172990012) is N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide is Nc1ccc(CCN(C[C@H](O)c2ccccc2)N=O)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide?
The InChIKey is URTRJVLUIFRIPB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-15-8-6-13(7-9-15)10-11-19(18-21)12-16(20)14-4-2-1-3-5-14/h1-9,16,20H,10-12,17H2/t16-/m0/s1.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide?
N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide has a molecular weight of 285.35 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]nitrous amide is sourced from PubChem (CID 172990012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).