N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide

C24H23N3O4 — CID 55429366

IUPACN-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide
SMILESCc1cccc(OCC(=O)NNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)c1
InChIInChI=1S/C24H23N3O4/c1-15-5-4-8-19(11-15)31-14-22(28)26-27-24(30)20-12-17-6-2-3-7-18(17)13-21(20)25-23(29)16-9-10-16/h2-8,11-13,16H,9-10,14H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyOEQUZDKAMQODOU-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.34
Rot. Bonds6

About N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide

N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide (PubChem CID 55429366) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide
PubChem CID55429366
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide
SMILESCc1cccc(OCC(=O)NNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)c1
InChIInChI=1S/C24H23N3O4/c1-15-5-4-8-19(11-15)31-14-22(28)26-27-24(30)20-12-17-6-2-3-7-18(17)13-21(20)25-23(29)16-9-10-16/h2-8,11-13,16H,9-10,14H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyOEQUZDKAMQODOU-UHFFFAOYSA-N
XLogP3.34
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 27567090
N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]thiophene-2-sulfonamide
CID 24664130
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102238
2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51193302
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932419
N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide
CID 26798980
N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931604
3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide
CID 110886656
N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 60562038
2-[[2-(3-methylphenoxy)acetyl]amino]benzoate
CID 7035586
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide (CID 55429366) is N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide is Cc1cccc(OCC(=O)NNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide?
The InChIKey is OEQUZDKAMQODOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-15-5-4-8-19(11-15)31-14-22(28)26-27-24(30)20-12-17-6-2-3-7-18(17)13-21(20)25-23(29)16-9-10-16/h2-8,11-13,16H,9-10,14H2,1H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide?
N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]naphthalen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 55429366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).