3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide

C16H26N2O — CID 115153748

IUPAC3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
SMILESCc1ccc(C(C)C)cc1CN(C)C(=O)C(C)CN
InChIInChI=1S/C16H26N2O/c1-11(2)14-7-6-12(3)15(8-14)10-18(5)16(19)13(4)9-17/h6-8,11,13H,9-10,17H2,1-5H3
InChIKeyQBCKWCCUGKYWQS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.67
Rot. Bonds5

About 3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide

3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide (PubChem CID 115153748) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
PubChem CID115153748
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
SMILESCc1ccc(C(C)C)cc1CN(C)C(=O)C(C)CN
InChIInChI=1S/C16H26N2O/c1-11(2)14-7-6-12(3)15(8-14)10-18(5)16(19)13(4)9-17/h6-8,11,13H,9-10,17H2,1-5H3
InChIKeyQBCKWCCUGKYWQS-UHFFFAOYSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115152451
3-amino-N,2-dimethyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115153746
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194809
3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 62671042
3-amino-N,2-dimethyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115153583
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
CID 115175799
3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
CID 115153767
3-chloro-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115162579
3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115153731
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047
3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62668717
2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 115251583

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide (CID 115153748) is 3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide is Cc1ccc(C(C)C)cc1CN(C)C(=O)C(C)CN.
What is the InChIKey of 3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is QBCKWCCUGKYWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)14-7-6-12(3)15(8-14)10-18(5)16(19)13(4)9-17/h6-8,11,13H,9-10,17H2,1-5H3.
What are the key properties of 3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide?
3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 115153748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).