N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide

C10H21NO5 — CID 107847193

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C10H21NO5/c1-2-4-16-5-3-9(15)11-10(6-12,7-13)8-14/h12-14H,2-8H2,1H3,(H,11,15)
InChIKeyWXAISKWXJDAQKQ-UHFFFAOYSA-N
MW235.28 g/mol
LogP-1.37
Rot. Bonds9

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide (PubChem CID 107847193) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide
PubChem CID107847193
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C10H21NO5/c1-2-4-16-5-3-9(15)11-10(6-12,7-13)8-14/h12-14H,2-8H2,1H3,(H,11,15)
InChIKeyWXAISKWXJDAQKQ-UHFFFAOYSA-N
XLogP-1.37
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-ethoxy-2-(iodomethoxymethyl)-3-propoxypropan-2-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide
CID 170013617
2-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104107
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
ethane;3-propoxy-N-propylpropanamide
CID 163269237
ethane;(3-propoxypropanoylamino)methylmercury
CID 166157838
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide
CID 65109854
N-[3-(aminomethyl)pentan-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806894
3-[2-[3-[2-[2-[3-[[1,3-bis(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propoxy]propanoic acid
CID 172639324
(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid
CID 80750974
2-phenyl-2-(3-propoxypropanoylamino)propanoic acid
CID 62717159

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide (CID 107847193) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide is CCCOCCC(=O)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide?
The InChIKey is WXAISKWXJDAQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-2-4-16-5-3-9(15)11-10(6-12,7-13)8-14/h12-14H,2-8H2,1H3,(H,11,15).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide has a molecular weight of 235.28 g/mol, XLogP of -1.37, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propoxypropanamide is sourced from PubChem (CID 107847193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).