N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide

C23H30N2O2 — CID 108951694

IUPACN'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C23H30N2O2/c1-17(2)25(16-18-11-7-6-8-12-18)22(27)15-21(26)24-20-14-10-9-13-19(20)23(3,4)5/h6-14,17H,15-16H2,1-5H3,(H,24,26)
InChIKeyFVTMRWHURDNRLF-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.75
Rot. Bonds6

About N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide

N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide (PubChem CID 108951694) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide
PubChem CID108951694
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C23H30N2O2/c1-17(2)25(16-18-11-7-6-8-12-18)22(27)15-21(26)24-20-14-10-9-13-19(20)23(3,4)5/h6-14,17H,15-16H2,1-5H3,(H,24,26)
InChIKeyFVTMRWHURDNRLF-UHFFFAOYSA-N
XLogP4.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.75
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

methyl 2-[[3-[benzyl(propan-2-yl)amino]-3-oxopropanoyl]amino]benzoate
CID 108951728
N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide
CID 11223159
N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide
CID 108951690
N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide
CID 108951691
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide
CID 109031682
N'-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-propan-2-ylpropanediamide
CID 108951740
3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119399933
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
CID 108868724
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide
CID 113137107

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide?
The IUPAC name of N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide (CID 108951694) is N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide.
What is the SMILES notation for N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide?
The canonical SMILES for N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide is CC(C)N(Cc1ccccc1)C(=O)CC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide?
The InChIKey is FVTMRWHURDNRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17(2)25(16-18-11-7-6-8-12-18)22(27)15-21(26)24-20-14-10-9-13-19(20)23(3,4)5/h6-14,17H,15-16H2,1-5H3,(H,24,26).
What are the key properties of N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide?
N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide has a molecular weight of 366.51 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide is sourced from PubChem (CID 108951694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).