N-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide

C13H26N4O7 — CID 170131067

IUPACN-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide
SMILESCC(=O)C(NC(=O)NCC(O)CO)N(C)CC(=O)NCC(O)CO
InChIInChI=1S/C13H26N4O7/c1-8(20)12(16-13(24)15-4-10(22)7-19)17(2)5-11(23)14-3-9(21)6-18/h9-10,12,18-19,21-22H,3-7H2,1-2H3,(H,14,23)(H2,15,16,24)
InChIKeyZKFBONVALILHHH-UHFFFAOYSA-N
MW350.37 g/mol
LogP-4.04
Rot. Bonds11

About N-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide

N-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide (PubChem CID 170131067) has the molecular formula C13H26N4O7 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide
PubChem CID170131067
Molecular FormulaC13H26N4O7
Molecular Weight350.37 g/mol
Exact Mass350.18
IUPAC NameN-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide
SMILESCC(=O)C(NC(=O)NCC(O)CO)N(C)CC(=O)NCC(O)CO
InChIInChI=1S/C13H26N4O7/c1-8(20)12(16-13(24)15-4-10(22)7-19)17(2)5-11(23)14-3-9(21)6-18/h9-10,12,18-19,21-22H,3-7H2,1-2H3,(H,14,23)(H2,15,16,24)
InChIKeyZKFBONVALILHHH-UHFFFAOYSA-N
XLogP-4.04
TPSA171.46 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 5-4.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide
CID 20732806
N-(2,3-dihydroxypropyl)-N-methyl-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
CID 23126457
N-(2,3-dihydroxypropyl)-2-[2-[[2-(2,3-dihydroxypropylamino)-2-oxoethyl]amino]ethylamino]acetamide
CID 53973433
2-[Bis[2-[carboxymethyl(2,3-dihydroxypropylcarbamoyl)amino]ethyl]amino]acetic acid
CID 59690837
2-[2-(2-aminoethylamino)ethyl-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]amino]-N-(2,3-dihydroxypropyl)acetamide
CID 88339526
N-(2,3-dihydroxypropyl)-2-(methylamino)acetamide;propane
CID 141818745
2-[2-[2-[Carboxymethyl-[2-[2,3-dihydroxypropyl(methyl)amino]-2-oxoethyl]amino]ethylamino]ethylamino]acetic acid
CID 148241130
N-[[2,3-dihydroxypropyl(methoxymethyl)amino]methyl]acetamide
CID 156682182
N,N'-bis(2,3-dihydroxypropyl)oxamide
CID 169968341
N-(1-acetamido-2,3-dihydroxypropyl)acetamide
CID 174843497
3-(2,3-dihydroxypropylamino)-N-[2-(ethylcarbamoylamino)-2-oxoethyl]propanamide
CID 178622252
N-(2,3-dihydroxypropyl)-2-[ethyl-[2-[2-(ethylamino)ethylamino]ethyl]amino]-N-methylacetamide
CID 17976804

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide (CID 170131067) is N-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide is CC(=O)C(NC(=O)NCC(O)CO)N(C)CC(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide?
The InChIKey is ZKFBONVALILHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O7/c1-8(20)12(16-13(24)15-4-10(22)7-19)17(2)5-11(23)14-3-9(21)6-18/h9-10,12,18-19,21-22H,3-7H2,1-2H3,(H,14,23)(H2,15,16,24).
What are the key properties of N-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide?
N-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide has a molecular weight of 350.37 g/mol, XLogP of -4.04, 11 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-[[1-(2,3-dihydroxypropylcarbamoylamino)-2-oxopropyl]-methylamino]acetamide is sourced from PubChem (CID 170131067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).