N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide

C17H19N3O2 — CID 90028154

IUPACN-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide
SMILESCOc1ccccc1CC(C(=O)N=C(N)N)c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-22-15-10-6-5-9-13(15)11-14(16(21)20-17(18)19)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H4,18,19,20,21)
InChIKeyWVNXYTFQNHNIGV-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.82
Rot. Bonds5

About N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide

N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide (PubChem CID 90028154) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide
PubChem CID90028154
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide
SMILESCOc1ccccc1CC(C(=O)N=C(N)N)c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-22-15-10-6-5-9-13(15)11-14(16(21)20-17(18)19)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H4,18,19,20,21)
InChIKeyWVNXYTFQNHNIGV-UHFFFAOYSA-N
XLogP1.82
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
CID 82026703
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
3-(4-acetamidophenyl)-N-(diaminomethylidene)-2-phenylpropanamide
CID 90027750
(2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide
CID 90028017
3-(2-chlorophenyl)-2-(3-chlorophenyl)-N-(diaminomethylidene)propanamide
CID 123202691
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid
CID 82140838
3-chloro-4-(2-methoxyphenyl)butan-2-one
CID 82185002
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
CID 20984694
(2S)-N-(diaminomethylidene)-2-(4-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 73053013

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide?
The IUPAC name of N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide (CID 90028154) is N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide.
What is the SMILES notation for N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide?
The canonical SMILES for N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide is COc1ccccc1CC(C(=O)N=C(N)N)c1ccccc1.
What is the InChIKey of N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide?
The InChIKey is WVNXYTFQNHNIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-15-10-6-5-9-13(15)11-14(16(21)20-17(18)19)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3,(H4,18,19,20,21).
What are the key properties of N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide?
N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide has a molecular weight of 297.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide is sourced from PubChem (CID 90028154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).