N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide

C23H44N6O7 — CID 18723916

IUPACN-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(C)C(=O)N(C)C(C)C(=O)NC(C)C(=O)N(C)C(C)C(=O)NC(C)C(OC)OC
InChIInChI=1S/C23H44N6O7/c1-12(24-7)18(30)25-13(2)21(33)28(8)16(5)19(31)26-14(3)22(34)29(9)17(6)20(32)27-15(4)23(35-10)36-11/h12-17,23-24H,1-11H3,(H,25,30)(H,26,31)(H,27,32)
InChIKeyXJJBEGQVLLZGPT-UHFFFAOYSA-N
MW516.64 g/mol
LogP-1.58
Rot. Bonds14

About N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide

N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide (PubChem CID 18723916) has the molecular formula C23H44N6O7 and a molecular weight of 516.64 g/mol. Its IUPAC name is N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide
PubChem CID18723916
Molecular FormulaC23H44N6O7
Molecular Weight516.64 g/mol
Exact Mass516.33
IUPAC NameN-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(C)C(=O)N(C)C(C)C(=O)NC(C)C(=O)N(C)C(C)C(=O)NC(C)C(OC)OC
InChIInChI=1S/C23H44N6O7/c1-12(24-7)18(30)25-13(2)21(33)28(8)16(5)19(31)26-14(3)22(34)29(9)17(6)20(32)27-15(4)23(35-10)36-11/h12-17,23-24H,1-11H3,(H,25,30)(H,26,31)(H,27,32)
InChIKeyXJJBEGQVLLZGPT-UHFFFAOYSA-N
XLogP-1.58
TPSA158.41 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.64
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide (CID 18723916) is N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide is CNC(C)C(=O)NC(C)C(=O)N(C)C(C)C(=O)NC(C)C(=O)N(C)C(C)C(=O)NC(C)C(OC)OC.
What is the InChIKey of N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide?
The InChIKey is XJJBEGQVLLZGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N6O7/c1-12(24-7)18(30)25-13(2)21(33)28(8)16(5)19(31)26-14(3)22(34)29(9)17(6)20(32)27-15(4)23(35-10)36-11/h12-17,23-24H,1-11H3,(H,25,30)(H,26,31)(H,27,32).
What are the key properties of N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide?
N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide has a molecular weight of 516.64 g/mol, XLogP of -1.58, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[[1-[[1-(1,1-dimethoxypropan-2-ylamino)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 18723916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).