1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide

C17H24N4O5 — CID 170010863

IUPAC1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
SMILESCOc1cc(C(=O)NCCNC(C)=O)cc(C(=O)NCCNC(C)=O)c1
InChIInChI=1S/C17H24N4O5/c1-11(22)18-4-6-20-16(24)13-8-14(10-15(9-13)26-3)17(25)21-7-5-19-12(2)23/h8-10H,4-7H2,1-3H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25)
InChIKeyIAXQBRKSFHVODQ-UHFFFAOYSA-N
MW364.40 g/mol
LogP-0.57
Rot. Bonds9

About 1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide

1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide (PubChem CID 170010863) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
PubChem CID170010863
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
SMILESCOc1cc(C(=O)NCCNC(C)=O)cc(C(=O)NCCNC(C)=O)c1
InChIInChI=1S/C17H24N4O5/c1-11(22)18-4-6-20-16(24)13-8-14(10-15(9-13)26-3)17(25)21-7-5-19-12(2)23/h8-10H,4-7H2,1-3H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25)
InChIKeyIAXQBRKSFHVODQ-UHFFFAOYSA-N
XLogP-0.57
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-0.57
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-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-(2-acetamidoethyl)-2,4,6-trimethoxybenzamide
CID 110764655
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
3,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 64996551
N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-(3-cyanopropyl)-3,5-dimethoxybenzamide
CID 62668308
3,5-dimethoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359281

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide (CID 170010863) is 1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide is COc1cc(C(=O)NCCNC(C)=O)cc(C(=O)NCCNC(C)=O)c1.
What is the InChIKey of 1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide?
The InChIKey is IAXQBRKSFHVODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-11(22)18-4-6-20-16(24)13-8-14(10-15(9-13)26-3)17(25)21-7-5-19-12(2)23/h8-10H,4-7H2,1-3H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25).
What are the key properties of 1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide?
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide has a molecular weight of 364.40 g/mol, XLogP of -0.57, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 170010863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).