(2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide

C17H25N3O — CID 51552369

IUPAC(2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide
SMILESCc1cccc(N[C@H](C)C(=O)N/N=C2/CCCC[C@@H]2C)c1
InChIInChI=1S/C17H25N3O/c1-12-7-6-9-15(11-12)18-14(3)17(21)20-19-16-10-5-4-8-13(16)2/h6-7,9,11,13-14,18H,4-5,8,10H2,1-3H3,(H,20,21)/b19-16-/t13-,14+/m0/s1
InChIKeyUCOAVJFIZHWFLQ-SZFSDLTGSA-N
MW287.41 g/mol
LogP3.48
Rot. Bonds4

About (2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide

(2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide (PubChem CID 51552369) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide
PubChem CID51552369
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide
SMILESCc1cccc(N[C@H](C)C(=O)N/N=C2/CCCC[C@@H]2C)c1
InChIInChI=1S/C17H25N3O/c1-12-7-6-9-15(11-12)18-14(3)17(21)20-19-16-10-5-4-8-13(16)2/h6-7,9,11,13-14,18H,4-5,8,10H2,1-3H3,(H,20,21)/b19-16-/t13-,14+/m0/s1
InChIKeyUCOAVJFIZHWFLQ-SZFSDLTGSA-N
XLogP3.48
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-ethoxyanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide
CID 26869544
2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 129360183
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-phenylbutanediamide
CID 5413708
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide
CID 6941303
N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide
CID 4694796
(2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 51925493
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
N-[(2-methylcyclohexylidene)amino]aniline
CID 72775329
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide
CID 9464639

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide?
The IUPAC name of (2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide (CID 51552369) is (2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide.
What is the SMILES notation for (2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide?
The canonical SMILES for (2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide is Cc1cccc(N[C@H](C)C(=O)N/N=C2/CCCC[C@@H]2C)c1.
What is the InChIKey of (2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide?
The InChIKey is UCOAVJFIZHWFLQ-SZFSDLTGSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-7-6-9-15(11-12)18-14(3)17(21)20-19-16-10-5-4-8-13(16)2/h6-7,9,11,13-14,18H,4-5,8,10H2,1-3H3,(H,20,21)/b19-16-/t13-,14+/m0/s1.
What are the key properties of (2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide?
(2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide has a molecular weight of 287.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide is sourced from PubChem (CID 51552369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).