N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide

C18H30N2O — CID 60936975

IUPACN-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-14(2)19-12-11-17(21)20(6)13-15-7-9-16(10-8-15)18(3,4)5/h7-10,14,19H,11-13H2,1-6H3
InChIKeyCWFWEZZSFVTKCX-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.33
Rot. Bonds6

About N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide

N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide (PubChem CID 60936975) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
PubChem CID60936975
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-14(2)19-12-11-17(21)20(6)13-15-7-9-16(10-8-15)18(3,4)5/h7-10,14,19H,11-13H2,1-6H3
InChIKeyCWFWEZZSFVTKCX-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 61259107
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54873511
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 60937202
N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 54873535
N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60936666
N-[(4-tert-butylphenyl)methyl]-3-cyano-N-methylpropanamide
CID 94692251
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925
1-(4-tert-butylphenyl)-5-(propan-2-ylamino)pentan-2-one
CID 116558232
3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685652
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide (CID 60936975) is N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
The InChIKey is CWFWEZZSFVTKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)19-12-11-17(21)20(6)13-15-7-9-16(10-8-15)18(3,4)5/h7-10,14,19H,11-13H2,1-6H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide?
N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide has a molecular weight of 290.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60936975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).