N-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide

C22H24N4O2 — CID 57214703

IUPACN-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide
SMILES[H]/N=C(\N)N(OCc1ccc(CN(C)C)cc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H24N4O2/c1-25(2)14-16-10-12-17(13-11-16)15-28-26(22(23)24)21(27)20-9-5-7-18-6-3-4-8-19(18)20/h3-13H,14-15H2,1-2H3,(H3,23,24)
InChIKeyCQVRXOSDRCUUBR-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.37
Rot. Bonds6

About N-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide

N-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide (PubChem CID 57214703) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide
PubChem CID57214703
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide
SMILES[H]/N=C(\N)N(OCc1ccc(CN(C)C)cc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H24N4O2/c1-25(2)14-16-10-12-17(13-11-16)15-28-26(22(23)24)21(27)20-9-5-7-18-6-3-4-8-19(18)20/h3-13H,14-15H2,1-2H3,(H3,23,24)
InChIKeyCQVRXOSDRCUUBR-UHFFFAOYSA-N
XLogP3.37
TPSA82.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide
CID 155513254
4-N-[[6-(diethylaminomethyl)naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
CID 19351071
4-N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
CID 19351074
4-N-[[6-[(dipropylamino)methyl]naphthalen-2-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
CID 19351076
4-N-[[4-(diethylaminomethyl)naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
CID 19351079
4-N-[[4-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
CID 19351080
1-N-hydroxy-4-N-(naphthalen-2-ylmethoxy)benzene-1,4-dicarboxamide
CID 19351085
4-N-[[4-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
CID 19351092
4-N-[1-[5-(diethylaminomethyl)naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
CID 19351097
4-N-[1-[4-[(dimethylamino)methyl]naphthalen-1-yl]ethoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
CID 19351101
4-N-[[3-[1-(diethylamino)propyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
CID 19351102
4-N-[[5-[(dimethylamino)methyl]naphthalen-1-yl]methoxy]-1-N-hydroxybenzene-1,4-dicarboxamide
CID 19351103

Frequently Asked Questions

What is the IUPAC name of N-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide?
The IUPAC name of N-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide (CID 57214703) is N-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide.
What is the SMILES notation for N-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide?
The canonical SMILES for N-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide is [H]/N=C(\N)N(OCc1ccc(CN(C)C)cc1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide?
The InChIKey is CQVRXOSDRCUUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25(2)14-16-10-12-17(13-11-16)15-28-26(22(23)24)21(27)20-9-5-7-18-6-3-4-8-19(18)20/h3-13H,14-15H2,1-2H3,(H3,23,24).
What are the key properties of N-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide?
N-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-N-[[4-[(dimethylamino)methyl]phenyl]methoxy]naphthalene-1-carboxamide is sourced from PubChem (CID 57214703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).