(2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

C19H20N2O3 — CID 895294

IUPAC(2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N2O3/c1-13(14-9-11-16(12-10-14)21(23)24)19(22)20-18-8-4-6-15-5-2-3-7-17(15)18/h4,6,8-13H,2-3,5,7H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyBOTPOOTWDITEDU-ZDUSSCGKSA-N
MW324.38 g/mol
LogP4.22
Rot. Bonds4

About (2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

(2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 895294) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
PubChem CID895294
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N2O3/c1-13(14-9-11-16(12-10-14)21(23)24)19(22)20-18-8-4-6-15-5-2-3-7-17(15)18/h4,6,8-13H,2-3,5,7H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyBOTPOOTWDITEDU-ZDUSSCGKSA-N
XLogP4.22
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide
CID 2944727
(2R)-N-(2-chlorophenyl)-2-(4-nitrophenyl)propanamide
CID 895147
(2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide
CID 895338
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
2-[(4-nitrophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721211
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 54991255
(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 61147977
(2R)-N-(3-fluorophenyl)-2-(4-nitrophenyl)propanamide
CID 894565
3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)butanoic acid
CID 116536577
ethyl 3-nitro-5-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)benzoate
CID 16959263
1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47133281

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of (2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (CID 895294) is (2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for (2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is C[C@H](C(=O)Nc1cccc2c1CCCC2)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is BOTPOOTWDITEDU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(14-9-11-16(12-10-14)21(23)24)19(22)20-18-8-4-6-15-5-2-3-7-17(15)18/h4,6,8-13H,2-3,5,7H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
(2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 895294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).