3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide

C16H26N2O — CID 60849544

IUPAC3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)CCNC(C)(C)C
InChIInChI=1S/C16H26N2O/c1-13-8-6-7-9-14(13)12-18(5)15(19)10-11-17-16(2,3)4/h6-9,17H,10-12H2,1-5H3
InChIKeyXKXMGAVOVXQUIM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.73
Rot. Bonds5

About 3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide

3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 60849544) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
PubChem CID60849544
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)CCNC(C)(C)C
InChIInChI=1S/C16H26N2O/c1-13-8-6-7-9-14(13)12-18(5)15(19)10-11-17-16(2,3)4/h6-9,17H,10-12H2,1-5H3
InChIKeyXKXMGAVOVXQUIM-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
3-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 51161411
4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 9369047
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 43578825
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 9368930
4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 115157383
4-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzoic acid
CID 119179454
2-(tert-butylamino)-N-ethyl-N-[(2-methylphenyl)methyl]acetamide
CID 112727493
2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 62822661
3-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 134049187

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide (CID 60849544) is 3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CN(C)C(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is XKXMGAVOVXQUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-8-6-7-9-14(13)12-18(5)15(19)10-11-17-16(2,3)4/h6-9,17H,10-12H2,1-5H3.
What are the key properties of 3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 60849544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).