4-isocyano-N,N-bis(2-methoxyethyl)benzamide

C14H18N2O3 — CID 140732662

IUPAC4-isocyano-N,N-bis(2-methoxyethyl)benzamide
SMILES[C-]#[N+]c1ccc(C(=O)N(CCOC)CCOC)cc1
InChIInChI=1S/C14H18N2O3/c1-15-13-6-4-12(5-7-13)14(17)16(8-10-18-2)9-11-19-3/h4-7H,8-11H2,2-3H3
InChIKeySCQKSVSYVKUQHQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.97
Rot. Bonds7

About 4-isocyano-N,N-bis(2-methoxyethyl)benzamide

4-isocyano-N,N-bis(2-methoxyethyl)benzamide (PubChem CID 140732662) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-isocyano-N,N-bis(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-isocyano-N,N-bis(2-methoxyethyl)benzamide
PubChem CID140732662
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-isocyano-N,N-bis(2-methoxyethyl)benzamide
SMILES[C-]#[N+]c1ccc(C(=O)N(CCOC)CCOC)cc1
InChIInChI=1S/C14H18N2O3/c1-15-13-6-4-12(5-7-13)14(17)16(8-10-18-2)9-11-19-3/h4-7H,8-11H2,2-3H3
InChIKeySCQKSVSYVKUQHQ-UHFFFAOYSA-N
XLogP1.97
TPSA43.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide
CID 107026123
4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43168099
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
4-hydroxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902414
N-(2-hydroxyethyl)-4-methoxy-N-(2-methoxyethyl)benzamide
CID 113339829
4-isocyano-N-methoxy-N-methylbenzamide
CID 59354859
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981287
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
N-(3-amino-3-sulfanylidenepropyl)-4-hydroxy-N-(2-methoxyethyl)benzamide
CID 63287434

Frequently Asked Questions

What is the IUPAC name of 4-isocyano-N,N-bis(2-methoxyethyl)benzamide?
The IUPAC name of 4-isocyano-N,N-bis(2-methoxyethyl)benzamide (CID 140732662) is 4-isocyano-N,N-bis(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-isocyano-N,N-bis(2-methoxyethyl)benzamide?
The canonical SMILES for 4-isocyano-N,N-bis(2-methoxyethyl)benzamide is [C-]#[N+]c1ccc(C(=O)N(CCOC)CCOC)cc1.
What is the InChIKey of 4-isocyano-N,N-bis(2-methoxyethyl)benzamide?
The InChIKey is SCQKSVSYVKUQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15-13-6-4-12(5-7-13)14(17)16(8-10-18-2)9-11-19-3/h4-7H,8-11H2,2-3H3.
What are the key properties of 4-isocyano-N,N-bis(2-methoxyethyl)benzamide?
4-isocyano-N,N-bis(2-methoxyethyl)benzamide has a molecular weight of 262.31 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isocyano-N,N-bis(2-methoxyethyl)benzamide is sourced from PubChem (CID 140732662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).