3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide

C16H26N4O2 — CID 162518867

IUPAC3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide
SMILESCNCc1ccc(NC(=O)CNC(=O)C(NC)C(C)C)cc1
InChIInChI=1S/C16H26N4O2/c1-11(2)15(18-4)16(22)19-10-14(21)20-13-7-5-12(6-8-13)9-17-3/h5-8,11,15,17-18H,9-10H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyIFTBWWOJOSCXFQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.70
Rot. Bonds8

About 3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide

3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide (PubChem CID 162518867) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide.

Molecular Properties

Compound Name3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide
PubChem CID162518867
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide
SMILESCNCc1ccc(NC(=O)CNC(=O)C(NC)C(C)C)cc1
InChIInChI=1S/C16H26N4O2/c1-11(2)15(18-4)16(22)19-10-14(21)20-13-7-5-12(6-8-13)9-17-3/h5-8,11,15,17-18H,9-10H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyIFTBWWOJOSCXFQ-UHFFFAOYSA-N
XLogP0.70
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide
CID 163289881
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 142383780
[4-[[2-[[3-methyl-2-(methylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-methylmethanimidate
CID 166778026
N-benzyl-3-methyl-2-(methylamino)butanamide
CID 21365821
CID 177226802
CID 177226802
butan-1-amine;ethane;2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]-3-phenylpropanamide
CID 169229746
[4-[[2-[[3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoyl]amino]acetyl]amino]phenyl]methyl formate
CID 171804617
N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 106910048
(2S)-2-amino-3-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 82962341
6-(2,5-dioxopyrrol-1-yl)-N-[2-[[(2S)-1-[[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]hexanamide
CID 167299308
2-cyclopropyl-N-[4-(methylaminomethyl)phenyl]propanamide
CID 106909989
(2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide
CID 169195729

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide?
The IUPAC name of 3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide (CID 162518867) is 3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide.
What is the SMILES notation for 3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide?
The canonical SMILES for 3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide is CNCc1ccc(NC(=O)CNC(=O)C(NC)C(C)C)cc1.
What is the InChIKey of 3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide?
The InChIKey is IFTBWWOJOSCXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)15(18-4)16(22)19-10-14(21)20-13-7-5-12(6-8-13)9-17-3/h5-8,11,15,17-18H,9-10H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide?
3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide has a molecular weight of 306.41 g/mol, XLogP of 0.70, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide is sourced from PubChem (CID 162518867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).