(2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide

C20H19N3O — CID 90028017

IUPAC(2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide
SMILESNC(N)=NC(=O)[C@H](Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H19N3O/c21-20(22)23-19(24)18(16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-12,18H,13H2,(H4,21,22,23,24)/t18-/m1/s1
InChIKeyXEEWNRRHQVYKOV-GOSISDBHSA-N
MW317.39 g/mol
LogP2.97
Rot. Bonds4

About (2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide

(2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide (PubChem CID 90028017) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide
PubChem CID90028017
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide
SMILESNC(N)=NC(=O)[C@H](Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H19N3O/c21-20(22)23-19(24)18(16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-12,18H,13H2,(H4,21,22,23,24)/t18-/m1/s1
InChIKeyXEEWNRRHQVYKOV-GOSISDBHSA-N
XLogP2.97
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(diaminomethylidene)-3-(3-methylphenyl)-2-phenylpropanamide
CID 73051408
(2S)-3-(4-cyanophenyl)-N-(diaminomethylidene)-2-phenylpropanamide
CID 73051901
3-(4-acetamidophenyl)-N-(diaminomethylidene)-2-phenylpropanamide
CID 90027750
3-(3-cyanophenyl)-N-(diaminomethylidene)-2-phenylpropanamide;hydrochloride
CID 90028612
(2S)-N-(diaminomethylidene)-2-(4-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 73053013
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
CID 2761622
(2R)-2-[(2-naphthalen-2-ylacetyl)amino]-2-phenylacetamide
CID 42377162
2-(4-chlorophenyl)-N-(diaminomethylidene)-3-(4-methylphenyl)propanamide
CID 90028115
2-(2-chlorophenyl)-N-(diaminomethylidene)-3-phenylpropanamide
CID 123678595
N-(diaminomethylidene)-3-(4-methylphenyl)-2-[3-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 90028122
(2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide
CID 73052533

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide?
The IUPAC name of (2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide (CID 90028017) is (2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide.
What is the SMILES notation for (2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide?
The canonical SMILES for (2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide is NC(N)=NC(=O)[C@H](Cc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of (2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide?
The InChIKey is XEEWNRRHQVYKOV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19N3O/c21-20(22)23-19(24)18(16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-12,18H,13H2,(H4,21,22,23,24)/t18-/m1/s1.
What are the key properties of (2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide?
(2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide has a molecular weight of 317.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide is sourced from PubChem (CID 90028017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).