N-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide

C17H34N6O4 — CID 20723759

IUPACN-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide
SMILESCNC(C)C(=O)NCCC(NC)C(=O)NCCC(C)C(=O)NCC(N)C=O
InChIInChI=1S/C17H34N6O4/c1-11(15(25)23-9-13(18)10-24)5-7-22-17(27)14(20-4)6-8-21-16(26)12(2)19-3/h10-14,19-20H,5-9,18H2,1-4H3,(H,21,26)(H,22,27)(H,23,25)
InChIKeyNLGRKFYDSPMVGD-UHFFFAOYSA-N
MW386.50 g/mol
LogP-2.53
Rot. Bonds14

About N-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide

N-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide (PubChem CID 20723759) has the molecular formula C17H34N6O4 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide.

Molecular Properties

Compound NameN-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide
PubChem CID20723759
Molecular FormulaC17H34N6O4
Molecular Weight386.50 g/mol
Exact Mass386.26
IUPAC NameN-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide
SMILESCNC(C)C(=O)NCCC(NC)C(=O)NCCC(C)C(=O)NCC(N)C=O
InChIInChI=1S/C17H34N6O4/c1-11(15(25)23-9-13(18)10-24)5-7-22-17(27)14(20-4)6-8-21-16(26)12(2)19-3/h10-14,19-20H,5-9,18H2,1-4H3,(H,21,26)(H,22,27)(H,23,25)
InChIKeyNLGRKFYDSPMVGD-UHFFFAOYSA-N
XLogP-2.53
TPSA154.45 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 5-2.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide with MolForge

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Related Compounds

2-(methylamino)-N-(2,3,3-trimethylbutyl)propanamide
CID 83143044
(2S)-4-amino-N-[3-(ethylamino)-2-hydroxypropyl]-2-(methylamino)butanamide
CID 59688139
4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
CID 107221139
N-[(5S)-5-amino-6-oxohexyl]-2-methylpropanamide
CID 138751316
3-chloro-2-methyl-N-(3-methylbutyl)propanamide
CID 62726569
4-amino-N-(2,3-dimethylbutyl)-2-methylbutanamide
CID 80544787
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
6-amino-2-methyl-N-(3-methylbutyl)heptanamide
CID 65293191
4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide
CID 80544789
(3S)-3-amino-N-methyl-4-oxobutanamide
CID 57098200
(2S)-6-[[(2R)-2-amino-5-(methylamino)pentanoyl]amino]-N-[(2S)-2,5-bis(methylamino)pentyl]-2-(methylamino)hexanamide
CID 59839919
6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide
CID 83109295

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide?
The IUPAC name of N-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide (CID 20723759) is N-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide.
What is the SMILES notation for N-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide?
The canonical SMILES for N-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide is CNC(C)C(=O)NCCC(NC)C(=O)NCCC(C)C(=O)NCC(N)C=O.
What is the InChIKey of N-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide?
The InChIKey is NLGRKFYDSPMVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N6O4/c1-11(15(25)23-9-13(18)10-24)5-7-22-17(27)14(20-4)6-8-21-16(26)12(2)19-3/h10-14,19-20H,5-9,18H2,1-4H3,(H,21,26)(H,22,27)(H,23,25).
What are the key properties of N-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide?
N-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide has a molecular weight of 386.50 g/mol, XLogP of -2.53, 14 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-oxopropyl)-2-methyl-4-[[2-(methylamino)-4-[2-(methylamino)propanoylamino]butanoyl]amino]butanamide is sourced from PubChem (CID 20723759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).