N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide

C15H22N2O2 — CID 108940808

IUPACN'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)NC(C)C
InChIInChI=1S/C15H22N2O2/c1-4-17(11-13-8-6-5-7-9-13)15(19)10-14(18)16-12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,16,18)
InChIKeyGFRPIVZDEMDPPO-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds6

About N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide

N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide (PubChem CID 108940808) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
PubChem CID108940808
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)NC(C)C
InChIInChI=1S/C15H22N2O2/c1-4-17(11-13-8-6-5-7-9-13)15(19)10-14(18)16-12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,16,18)
InChIKeyGFRPIVZDEMDPPO-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide
CID 108947341
N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
CID 108947400
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide
CID 108946690
N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide
CID 108947354
N-[(2R)-4-[benzyl(ethyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 95322825
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
(2R)-2-[[benzyl(ethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010087

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide?
The IUPAC name of N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide (CID 108940808) is N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide.
What is the SMILES notation for N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide?
The canonical SMILES for N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide is CCN(Cc1ccccc1)C(=O)CC(=O)NC(C)C.
What is the InChIKey of N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide?
The InChIKey is GFRPIVZDEMDPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-17(11-13-8-6-5-7-9-13)15(19)10-14(18)16-12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,16,18).
What are the key properties of N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide?
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide has a molecular weight of 262.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide is sourced from PubChem (CID 108940808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).