N,N'-dihexyl-2-phenylpropanediamide

C21H34N2O2 — CID 3396321

IUPACN,N'-dihexyl-2-phenylpropanediamide
SMILESCCCCCCNC(=O)C(C(=O)NCCCCCC)c1ccccc1
InChIInChI=1S/C21H34N2O2/c1-3-5-7-12-16-22-20(24)19(18-14-10-9-11-15-18)21(25)23-17-13-8-6-4-2/h9-11,14-15,19H,3-8,12-13,16-17H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNWOVQQPOEBQEDZ-UHFFFAOYSA-N
MW346.51 g/mol
LogP4.16
Rot. Bonds13

About N,N'-dihexyl-2-phenylpropanediamide

N,N'-dihexyl-2-phenylpropanediamide (PubChem CID 3396321) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is N,N'-dihexyl-2-phenylpropanediamide.

Molecular Properties

Compound NameN,N'-dihexyl-2-phenylpropanediamide
PubChem CID3396321
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC NameN,N'-dihexyl-2-phenylpropanediamide
SMILESCCCCCCNC(=O)C(C(=O)NCCCCCC)c1ccccc1
InChIInChI=1S/C21H34N2O2/c1-3-5-7-12-16-22-20(24)19(18-14-10-9-11-15-18)21(25)23-17-13-8-6-4-2/h9-11,14-15,19H,3-8,12-13,16-17H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNWOVQQPOEBQEDZ-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-dodecyl-2,2-diphenylacetamide
CID 5143289
N'-butyl-2-phenylpropanediamide
CID 70180418
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
3-amino-N-butyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876860
1-benzhydryl-3-octadecylurea
CID 142646590
(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide
CID 55128921
3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid
CID 91025277
N-butyl-2-phenylpropanamide
CID 101453557
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
N-octyl-N'-[(1R)-1-phenylethyl]oxamide
CID 124544737
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
N-hexyl-3-phenylprop-2-ynamide
CID 155936824

Frequently Asked Questions

What is the IUPAC name of N,N'-dihexyl-2-phenylpropanediamide?
The IUPAC name of N,N'-dihexyl-2-phenylpropanediamide (CID 3396321) is N,N'-dihexyl-2-phenylpropanediamide.
What is the SMILES notation for N,N'-dihexyl-2-phenylpropanediamide?
The canonical SMILES for N,N'-dihexyl-2-phenylpropanediamide is CCCCCCNC(=O)C(C(=O)NCCCCCC)c1ccccc1.
What is the InChIKey of N,N'-dihexyl-2-phenylpropanediamide?
The InChIKey is NWOVQQPOEBQEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-3-5-7-12-16-22-20(24)19(18-14-10-9-11-15-18)21(25)23-17-13-8-6-4-2/h9-11,14-15,19H,3-8,12-13,16-17H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N,N'-dihexyl-2-phenylpropanediamide?
N,N'-dihexyl-2-phenylpropanediamide has a molecular weight of 346.51 g/mol, XLogP of 4.16, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dihexyl-2-phenylpropanediamide is sourced from PubChem (CID 3396321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).