N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide

C17H26N2O2 — CID 108951176

IUPACN'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
SMILESCC(C)CCNC(=O)CC(=O)NCCCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-14(2)10-12-19-17(21)13-16(20)18-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVFMPVGLRUYJSHF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.29
Rot. Bonds9

About N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide

N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide (PubChem CID 108951176) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide.

Molecular Properties

Compound NameN'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
PubChem CID108951176
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
SMILESCC(C)CCNC(=O)CC(=O)NCCCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-14(2)10-12-19-17(21)13-16(20)18-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVFMPVGLRUYJSHF-UHFFFAOYSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.29
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-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
(2S)-5-amino-2-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide
CID 20662234
3-(ethylamino)-N-(3-phenylpropyl)butanamide
CID 62839193
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 115665779
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide
CID 108963827
(2S)-2-[(2-aminoacetyl)amino]-5-(3-methylbutylamino)-N-(3-phenylpropyl)pentanamide
CID 67564964
3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide
CID 109020264
N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide
CID 108951208
4-amino-4-ethylsulfanyl-N-(3-phenylpropyl)butanamide
CID 70407060

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide?
The IUPAC name of N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide (CID 108951176) is N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide.
What is the SMILES notation for N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide?
The canonical SMILES for N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide is CC(C)CCNC(=O)CC(=O)NCCCc1ccccc1.
What is the InChIKey of N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide?
The InChIKey is VFMPVGLRUYJSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)10-12-19-17(21)13-16(20)18-11-6-9-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide?
N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide has a molecular weight of 290.41 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide is sourced from PubChem (CID 108951176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).