2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide

C18H30N2O — CID 60936758

IUPAC2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide
SMILESCC(C)CC(N)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-13(2)11-16(19)17(21)20(6)12-14-7-9-15(10-8-14)18(3,4)5/h7-10,13,16H,11-12,19H2,1-6H3
InChIKeyXKGNXSVFVUXFJA-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.32
Rot. Bonds5

About 2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide

2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide (PubChem CID 60936758) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide
PubChem CID60936758
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide
SMILESCC(C)CC(N)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-13(2)11-16(19)17(21)20(6)12-14-7-9-15(10-8-14)18(3,4)5/h7-10,13,16H,11-12,19H2,1-6H3
InChIKeyXKGNXSVFVUXFJA-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 71756991
(2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide
CID 103793940
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571
2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide
CID 54869994
2-amino-N,4-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60938303
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,4-dimethylpentanamide
CID 60938296
(2S)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpentanamide;hydrochloride
CID 119690339
(2S)-2-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119766961
2-amino-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
CID 61259468
N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide
CID 115191922
(2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide
CID 56877658
(2R)-2-amino-N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethylpentanamide
CID 56873625

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide?
The IUPAC name of 2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide (CID 60936758) is 2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide?
The canonical SMILES for 2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide is CC(C)CC(N)C(=O)N(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide?
The InChIKey is XKGNXSVFVUXFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)11-16(19)17(21)20(6)12-14-7-9-15(10-8-14)18(3,4)5/h7-10,13,16H,11-12,19H2,1-6H3.
What are the key properties of 2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide?
2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide has a molecular weight of 290.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 60936758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).