N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide

C18H28N2O — CID 115576043

IUPACN-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide
SMILESCc1ccc(C(NC(C)C(=O)NC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C18H28N2O/c1-12-6-8-14(9-7-12)16(15-10-11-15)19-13(2)17(21)20-18(3,4)5/h6-9,13,15-16,19H,10-11H2,1-5H3,(H,20,21)
InChIKeyIUKIVSKRHIZGRD-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.34
Rot. Bonds5

About N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide

N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide (PubChem CID 115576043) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide
PubChem CID115576043
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide
SMILESCc1ccc(C(NC(C)C(=O)NC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C18H28N2O/c1-12-6-8-14(9-7-12)16(15-10-11-15)19-13(2)17(21)20-18(3,4)5/h6-9,13,15-16,19H,10-11H2,1-5H3,(H,20,21)
InChIKeyIUKIVSKRHIZGRD-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(1-cyclopropylethylamino)propanamide
CID 43401275
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine
CID 43773888
methyl (2S)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutanoate
CID 43425691
(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
CID 114987207
methyl 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpropanoate
CID 43787162
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43087569
N-cyclopropyl-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
CID 115575469
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 115575468
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81360045
N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361059

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide (CID 115576043) is N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide is Cc1ccc(C(NC(C)C(=O)NC(C)(C)C)C2CC2)cc1.
What is the InChIKey of N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide?
The InChIKey is IUKIVSKRHIZGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-6-8-14(9-7-12)16(15-10-11-15)19-13(2)17(21)20-18(3,4)5/h6-9,13,15-16,19H,10-11H2,1-5H3,(H,20,21).
What are the key properties of N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide?
N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 115576043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).