N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide

C14H22N2O — CID 20823796

IUPACN-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide
SMILESCNC(=O)C(C)NCc1cccc(C(C)C)c1
InChIInChI=1S/C14H22N2O/c1-10(2)13-7-5-6-12(8-13)9-16-11(3)14(17)15-4/h5-8,10-11,16H,9H2,1-4H3,(H,15,17)
InChIKeyTUTWFKPKVXFCGL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.03
Rot. Bonds5

About N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide

N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide (PubChem CID 20823796) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide
PubChem CID20823796
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide
SMILESCNC(=O)C(C)NCc1cccc(C(C)C)c1
InChIInChI=1S/C14H22N2O/c1-10(2)13-7-5-6-12(8-13)9-16-11(3)14(17)15-4/h5-8,10-11,16H,9H2,1-4H3,(H,15,17)
InChIKeyTUTWFKPKVXFCGL-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
(2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide
CID 103735692
2-[(3-iodophenyl)methylamino]-N-methylpropanamide
CID 20823789
1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea
CID 58988184
N-methyl-2-[(3-nitrophenyl)methylamino]propanamide
CID 61057620
N-methyl-3-(3-propan-2-ylphenyl)propanamide
CID 122496353
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
(2R)-2-[(4-fluoro-3-methylphenyl)methylamino]-N-methylpropanamide
CID 94332389
2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide
CID 43400841
2-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpropanamide
CID 81002150
methyl 2-fluoro-4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 106699905

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide?
The IUPAC name of N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide (CID 20823796) is N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide.
What is the SMILES notation for N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide?
The canonical SMILES for N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide is CNC(=O)C(C)NCc1cccc(C(C)C)c1.
What is the InChIKey of N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide?
The InChIKey is TUTWFKPKVXFCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)13-7-5-6-12(8-13)9-16-11(3)14(17)15-4/h5-8,10-11,16H,9H2,1-4H3,(H,15,17).
What are the key properties of N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide?
N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide has a molecular weight of 234.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide is sourced from PubChem (CID 20823796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).