2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide

C16H26N4O2 — CID 119730362

IUPAC2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N4O2/c1-11(2)19-16(22)20-14-7-5-13(6-8-14)10-18-15(21)12(3)9-17-4/h5-8,11-12,17H,9-10H2,1-4H3,(H,18,21)(H2,19,20,22)
InChIKeyDXUCAGNJLRSKKI-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.69
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide

2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide (PubChem CID 119730362) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
PubChem CID119730362
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N4O2/c1-11(2)19-16(22)20-14-7-5-13(6-8-14)10-18-15(21)12(3)9-17-4/h5-8,11-12,17H,9-10H2,1-4H3,(H,18,21)(H2,19,20,22)
InChIKeyDXUCAGNJLRSKKI-UHFFFAOYSA-N
XLogP1.69
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119701163
2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride
CID 119293088
1-[4-[(benzylcarbamothioylamino)methyl]phenyl]-3-propan-2-ylurea
CID 43077296
2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 51123302
(2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 52511671
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
1-[4-[[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]-3-propan-2-ylurea
CID 111245469
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
4-tert-butyl-N-[3-methyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide
CID 55693805
2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55838406
N,N-dimethyl-4-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide;hydrochloride
CID 119701723
2-(4-cyanophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 46464883

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide (CID 119730362) is 2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide is CNCC(C)C(=O)NCc1ccc(NC(=O)NC(C)C)cc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide?
The InChIKey is DXUCAGNJLRSKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)19-16(22)20-14-7-5-13(6-8-14)10-18-15(21)12(3)9-17-4/h5-8,11-12,17H,9-10H2,1-4H3,(H,18,21)(H2,19,20,22).
What are the key properties of 2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide?
2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide has a molecular weight of 306.41 g/mol, XLogP of 1.69, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide is sourced from PubChem (CID 119730362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).