6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide

C21H21N3O2 — CID 11473486

IUPAC6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide
SMILES[H]/N=C(\N)c1ccc2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2c1
InChIInChI=1S/C21H21N3O2/c1-13(2)26-19-5-3-4-18(12-19)24-21(25)17-9-7-14-10-16(20(22)23)8-6-15(14)11-17/h3-13H,1-2H3,(H3,22,23)(H,24,25)
InChIKeyRNMLDMHQKBIMRF-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.16
Rot. Bonds5

About 6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide

6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide (PubChem CID 11473486) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide
PubChem CID11473486
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide
SMILES[H]/N=C(\N)c1ccc2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2c1
InChIInChI=1S/C21H21N3O2/c1-13(2)26-19-5-3-4-18(12-19)24-21(25)17-9-7-14-10-16(20(22)23)8-6-15(14)11-17/h3-13H,1-2H3,(H3,22,23)(H,24,25)
InChIKeyRNMLDMHQKBIMRF-UHFFFAOYSA-N
XLogP4.16
TPSA88.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide
CID 11244460
7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 10291466
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
6-carbamimidoyl-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
CID 174421844
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
4-bromo-N-(3-propan-2-yloxyphenyl)benzamide
CID 54791087
N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142503
(3-carbamimidoylphenyl) (2S)-2-aminopropanoate
CID 68930399
N-naphthalen-2-yl-4-propan-2-yloxybenzamide
CID 823400
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 1218490
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762

Frequently Asked Questions

What is the IUPAC name of 6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide (CID 11473486) is 6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide is [H]/N=C(\N)c1ccc2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2c1.
What is the InChIKey of 6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide?
The InChIKey is RNMLDMHQKBIMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13(2)26-19-5-3-4-18(12-19)24-21(25)17-9-7-14-10-16(20(22)23)8-6-15(14)11-17/h3-13H,1-2H3,(H3,22,23)(H,24,25).
What are the key properties of 6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide?
6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamimidoyl-N-(3-propan-2-yloxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 11473486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).