2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide

C16H26N2O — CID 112501771

IUPAC2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCCC(C)N(Cc1ccc(C(C)C)cc1)C(=O)CN
InChIInChI=1S/C16H26N2O/c1-5-13(4)18(16(19)10-17)11-14-6-8-15(9-7-14)12(2)3/h6-9,12-13H,5,10-11,17H2,1-4H3
InChIKeyKABZZHQYYCTFTA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.90
Rot. Bonds6

About 2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide

2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide (PubChem CID 112501771) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide
PubChem CID112501771
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCCC(C)N(Cc1ccc(C(C)C)cc1)C(=O)CN
InChIInChI=1S/C16H26N2O/c1-5-13(4)18(16(19)10-17)11-14-6-8-15(9-7-14)12(2)3/h6-9,12-13H,5,10-11,17H2,1-4H3
InChIKeyKABZZHQYYCTFTA-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide
CID 112501851
2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 112517436
2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
CID 39349341
2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 39353233
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
benzyl(butan-2-yl)carbamic acid
CID 18954164
3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 62671042
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
[4-[[[(2S)-butan-2-yl]-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 7238726
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
2-N-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine;hydrochloride
CID 119924728
1-amino-4-(4-propan-2-ylphenyl)butan-2-one
CID 95439232

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of 2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide (CID 112501771) is 2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide is CCC(C)N(Cc1ccc(C(C)C)cc1)C(=O)CN.
What is the InChIKey of 2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is KABZZHQYYCTFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-13(4)18(16(19)10-17)11-14-6-8-15(9-7-14)12(2)3/h6-9,12-13H,5,10-11,17H2,1-4H3.
What are the key properties of 2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide?
2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 112501771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).