N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide

C26H27N3O4 — CID 121062474

IUPACN-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C26H27N3O4/c1-2-33-22-14-11-17-5-3-4-6-21(17)23(22)26(32)29-20-12-9-19(10-13-20)25(31)28-16-15-27-24(30)18-7-8-18/h3-6,9-14,18H,2,7-8,15-16H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyHTFCDEXHBKHORV-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.75
Rot. Bonds9

About N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide

N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide (PubChem CID 121062474) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide
PubChem CID121062474
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C26H27N3O4/c1-2-33-22-14-11-17-5-3-4-6-21(17)23(22)26(32)29-20-12-9-19(10-13-20)25(31)28-16-15-27-24(30)18-7-8-18/h3-6,9-14,18H,2,7-8,15-16H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyHTFCDEXHBKHORV-UHFFFAOYSA-N
XLogP3.75
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062645
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
CID 51153110
2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
CID 122301952
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 121062403
4-(cyclopropanecarbonylamino)-N-(2-ethoxyphenyl)benzamide
CID 2995907
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-2-ethoxynaphthalene-1-carboxamide
CID 16831288
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2-ethylbutanoylamino)benzamide
CID 121062485
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121062502
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide
CID 121062466
5-chloro-N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-methoxybenzamide
CID 121062446
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
CID 121062396

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide (CID 121062474) is N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide?
The InChIKey is HTFCDEXHBKHORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-2-33-22-14-11-17-5-3-4-6-21(17)23(22)26(32)29-20-12-9-19(10-13-20)25(31)28-16-15-27-24(30)18-7-8-18/h3-6,9-14,18H,2,7-8,15-16H2,1H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide?
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.75, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide is sourced from PubChem (CID 121062474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).