N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide

C14H30N2O4 — CID 106989516

IUPACN-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNCC(O)COC(C)COC
InChIInChI=1S/C14H30N2O4/c1-5-11(2)16-14(18)6-7-15-8-13(17)10-20-12(3)9-19-4/h11-13,15,17H,5-10H2,1-4H3,(H,16,18)
InChIKeyAFAAHQFUTRDXSG-UHFFFAOYSA-N
MW290.40 g/mol
LogP0.29
Rot. Bonds12

About N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide

N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide (PubChem CID 106989516) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide
PubChem CID106989516
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC NameN-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNCC(O)COC(C)COC
InChIInChI=1S/C14H30N2O4/c1-5-11(2)16-14(18)6-7-15-8-13(17)10-20-12(3)9-19-4/h11-13,15,17H,5-10H2,1-4H3,(H,16,18)
InChIKeyAFAAHQFUTRDXSG-UHFFFAOYSA-N
XLogP0.29
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-3-(2,3-dihydroxypropylamino)propanamide
CID 76892935
1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 106989964
N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide
CID 103409413
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
CID 103241874
methyl 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoate
CID 54900962
methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate
CID 63930269
3-[(3-amino-3-hydroxyimino-2-methylpropyl)amino]-N-butan-2-ylpropanamide
CID 77028304
3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol
CID 106990049
3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide
CID 54938438
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
N-butan-2-yl-3-(2-phenylpropylamino)propanamide
CID 54893679

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide (CID 106989516) is N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide is CCC(C)NC(=O)CCNCC(O)COC(C)COC.
What is the InChIKey of N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide?
The InChIKey is AFAAHQFUTRDXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-5-11(2)16-14(18)6-7-15-8-13(17)10-20-12(3)9-19-4/h11-13,15,17H,5-10H2,1-4H3,(H,16,18).
What are the key properties of N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide?
N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide has a molecular weight of 290.40 g/mol, XLogP of 0.29, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide is sourced from PubChem (CID 106989516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).