N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride

C31H39ClN3O- — CID 71737860

IUPACN-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride
SMILESCCCCCCCCC(=O)N(CC(C)/C(=N\c1ccccc1)Nc1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C31H39N3O.ClH/c1-3-4-5-6-7-17-24-30(35)34(29-22-15-10-16-23-29)25-26(2)31(32-27-18-11-8-12-19-27)33-28-20-13-9-14-21-28;/h8-16,18-23,26H,3-7,17,24-25H2,1-2H3,(H,32,33);1H/p-1
InChIKeyQWJKGEWTARVJGI-UHFFFAOYSA-M
MW505.13 g/mol
LogP5.25
Rot. Bonds13

About N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride

N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride (PubChem CID 71737860) has the molecular formula C31H39ClN3O- and a molecular weight of 505.13 g/mol. Its IUPAC name is N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride.

Molecular Properties

Compound NameN-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride
PubChem CID71737860
Molecular FormulaC31H39ClN3O-
Molecular Weight505.13 g/mol
Exact Mass504.28
IUPAC NameN-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride
SMILESCCCCCCCCC(=O)N(CC(C)/C(=N\c1ccccc1)Nc1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C31H39N3O.ClH/c1-3-4-5-6-7-17-24-30(35)34(29-22-15-10-16-23-29)25-26(2)31(32-27-18-11-8-12-19-27)33-28-20-13-9-14-21-28;/h8-16,18-23,26H,3-7,17,24-25H2,1-2H3,(H,32,33);1H/p-1
InChIKeyQWJKGEWTARVJGI-UHFFFAOYSA-M
XLogP5.25
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.13
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenyltridecanamide
CID 2728902
N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylbutanamide;hydrochloride
CID 71579957
N-ethyl-N-phenyloctadecanamide
CID 151424183
3-(N-octanoylanilino)propanoic acid
CID 60831115
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide
CID 42702502
N-methyl-N-phenylnonanamide
CID 54136731
N-(2-cyanoethyl)-N-phenyloctanamide
CID 43085178
3-(4-chloro-N-pentanoylanilino)-2-methylpropanoic acid
CID 82320934
[(2S)-1-anilino-1-oxopropan-2-yl] dodecanoate
CID 98093239
octyl(phenyl)carbamic acid
CID 54301990

Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride?
The IUPAC name of N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride (CID 71737860) is N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride.
What is the SMILES notation for N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride?
The canonical SMILES for N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride is CCCCCCCCC(=O)N(CC(C)/C(=N\c1ccccc1)Nc1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride?
The InChIKey is QWJKGEWTARVJGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H39N3O.ClH/c1-3-4-5-6-7-17-24-30(35)34(29-22-15-10-16-23-29)25-26(2)31(32-27-18-11-8-12-19-27)33-28-20-13-9-14-21-28;/h8-16,18-23,26H,3-7,17,24-25H2,1-2H3,(H,32,33);1H/p-1.
What are the key properties of N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride?
N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride has a molecular weight of 505.13 g/mol, XLogP of 5.25, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-2-methyl-3-phenyliminopropyl)-N-phenylnonanamide chloride is sourced from PubChem (CID 71737860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).