dimethyl 4-acetamidodecanedioate

C14H25NO5 — CID 2832717

IUPACdimethyl 4-acetamidodecanedioate
SMILESCOC(=O)CCCCCC(CCC(=O)OC)NC(C)=O
InChIInChI=1S/C14H25NO5/c1-11(16)15-12(9-10-14(18)20-3)7-5-4-6-8-13(17)19-2/h12H,4-10H2,1-3H3,(H,15,16)
InChIKeyUPONBDXVPDMQSN-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.57
Rot. Bonds10

About dimethyl 4-acetamidodecanedioate

dimethyl 4-acetamidodecanedioate (PubChem CID 2832717) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is dimethyl 4-acetamidodecanedioate.

Molecular Properties

Compound Namedimethyl 4-acetamidodecanedioate
PubChem CID2832717
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Namedimethyl 4-acetamidodecanedioate
SMILESCOC(=O)CCCCCC(CCC(=O)OC)NC(C)=O
InChIInChI=1S/C14H25NO5/c1-11(16)15-12(9-10-14(18)20-3)7-5-4-6-8-13(17)19-2/h12H,4-10H2,1-3H3,(H,15,16)
InChIKeyUPONBDXVPDMQSN-UHFFFAOYSA-N
XLogP1.57
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-(5-oxopyrrolidin-2-yl)propanoate
CID 558761
Methyl 3-(5-oxopyrrolidin-2-yl)propanoate
CID 558769
methyl (4S)-4-(2-oxohexadecanoylamino)octanoate
CID 44562672
ethyl (6S)-6-(2-oxohexadecanoylamino)decanoate
CID 44562726
methyl (2S)-2-acetamidoheptanoate
CID 57683550
4-Tridecanoylamino-octanoic acid
CID 44281274
2-(Heptanoylamino)hexadecyl heptanoate
CID 44322422
Propan-2-yl 3-(5-oxopyrrolidin-2-yl)propanoate
CID 44364466
methyl (2S)-2-acetamidooctanoate
CID 71447078
2-Acetylamino-octanoic acid methyl ester
CID 6429509
Methyl 11-(methoxycarbonylamino)unde-canoate
CID 18983477
Methyl 4-(docosanoylamino)butanoate
CID 150241085

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-acetamidodecanedioate?
The IUPAC name of dimethyl 4-acetamidodecanedioate (CID 2832717) is dimethyl 4-acetamidodecanedioate.
What is the SMILES notation for dimethyl 4-acetamidodecanedioate?
The canonical SMILES for dimethyl 4-acetamidodecanedioate is COC(=O)CCCCCC(CCC(=O)OC)NC(C)=O.
What is the InChIKey of dimethyl 4-acetamidodecanedioate?
The InChIKey is UPONBDXVPDMQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-11(16)15-12(9-10-14(18)20-3)7-5-4-6-8-13(17)19-2/h12H,4-10H2,1-3H3,(H,15,16).
What are the key properties of dimethyl 4-acetamidodecanedioate?
dimethyl 4-acetamidodecanedioate has a molecular weight of 287.36 g/mol, XLogP of 1.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-acetamidodecanedioate is sourced from PubChem (CID 2832717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).