N-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide

C17H34N6O4 — CID 21036198

IUPACN-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide
SMILESCNC(C)(C)NC(=O)CC(=O)NC(C)(C)NC(=O)CC(=O)NC(C)(C)NC
InChIInChI=1S/C17H34N6O4/c1-15(2,18-7)20-11(24)9-13(26)22-17(5,6)23-14(27)10-12(25)21-16(3,4)19-8/h18-19H,9-10H2,1-8H3,(H,20,24)(H,21,25)(H,22,26)(H,23,27)
InChIKeyZWXJUWQCXCXFBM-UHFFFAOYSA-N
MW386.50 g/mol
LogP-1.12
Rot. Bonds10

About N-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide

N-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide (PubChem CID 21036198) has the molecular formula C17H34N6O4 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide.

Molecular Properties

Compound NameN-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide
PubChem CID21036198
Molecular FormulaC17H34N6O4
Molecular Weight386.50 g/mol
Exact Mass386.26
IUPAC NameN-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide
SMILESCNC(C)(C)NC(=O)CC(=O)NC(C)(C)NC(=O)CC(=O)NC(C)(C)NC
InChIInChI=1S/C17H34N6O4/c1-15(2,18-7)20-11(24)9-13(26)22-17(5,6)23-14(27)10-12(25)21-16(3,4)19-8/h18-19H,9-10H2,1-8H3,(H,20,24)(H,21,25)(H,22,26)(H,23,27)
InChIKeyZWXJUWQCXCXFBM-UHFFFAOYSA-N
XLogP-1.12
TPSA140.46 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 5-1.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[dihydroxy(methylamino)methyl]-N'-[dihydroxy-(3-oxobutanoylamino)methyl]propanediamide;N-[dihydroxy-(3-oxobutanoylamino)methyl]-3-oxobutanamide
CID 161437062
3-(tert-butylamino)-3-oxopropanoic acid
CID 23009238
N'-[acetamido(dihydroxy)methyl]-N-(methylaminomethyl)propanediamide
CID 58721399
3-hydroxy-3-(methylamino)butan-2-one
CID 59918462
1,1-dihydroxyethylurea
CID 54031376
4-hydroxy-N,4-dimethylpentanamide
CID 131039941
N-(aminomethyl)-N'-[[[3-(aminomethylamino)-3-oxopropanoyl]amino]-dihydroxymethyl]propanediamide
CID 20822529
3-(2-methylbutan-2-ylamino)-3-oxopropanoic acid
CID 62230049
4-(2-carboxyethyl)-4-[[7-[[1,5-dicarboxy-3-(2-carboxyethyl)pentan-3-yl]amino]-4-[3-[[1,5-dicarboxy-3-(2-carboxyethyl)pentan-3-yl]amino]-3-oxopropyl]-4-(methylamino)-7-oxoheptanoyl]amino]heptanedioic acid
CID 146988313
1-hydroxy-3-methyl-3-(methylamino)butan-2-one
CID 155655031
N,N'-ditert-butylhexanediamide
CID 3593481
N,2-dimethyl-2-(propanoylamino)propanamide
CID 130249433

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide?
The IUPAC name of N-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide (CID 21036198) is N-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide.
What is the SMILES notation for N-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide?
The canonical SMILES for N-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide is CNC(C)(C)NC(=O)CC(=O)NC(C)(C)NC(=O)CC(=O)NC(C)(C)NC.
What is the InChIKey of N-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide?
The InChIKey is ZWXJUWQCXCXFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N6O4/c1-15(2,18-7)20-11(24)9-13(26)22-17(5,6)23-14(27)10-12(25)21-16(3,4)19-8/h18-19H,9-10H2,1-8H3,(H,20,24)(H,21,25)(H,22,26)(H,23,27).
What are the key properties of N-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide?
N-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide has a molecular weight of 386.50 g/mol, XLogP of -1.12, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propan-2-yl]-N'-[2-[[3-[2-(methylamino)propan-2-ylamino]-3-oxopropanoyl]amino]propan-2-yl]propanediamide is sourced from PubChem (CID 21036198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).