N-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide

C27H29N3O5 — CID 121062645

IUPACN-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C27H29N3O5/c1-2-34-22-14-11-18-6-3-4-7-21(18)24(22)27(33)30-20-12-9-19(10-13-20)25(31)28-15-16-29-26(32)23-8-5-17-35-23/h3-4,6-7,9-14,23H,2,5,8,15-17H2,1H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyZHYAKKXAQORFKC-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.52
Rot. Bonds9

About N-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide

N-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide (PubChem CID 121062645) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
PubChem CID121062645
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC NameN-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C27H29N3O5/c1-2-34-22-14-11-18-6-3-4-7-21(18)24(22)27(33)30-20-12-9-19(10-13-20)25(31)28-15-16-29-26(32)23-8-5-17-35-23/h3-4,6-7,9-14,23H,2,5,8,15-17H2,1H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyZHYAKKXAQORFKC-UHFFFAOYSA-N
XLogP3.52
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide
CID 121062474
N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062718
N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062664
N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062639
N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062632
N-[2-[[4-[(2,3-dimethylphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062728
N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062573
N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062685
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 108542472
(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide
CID 93441465
N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062677
N-[4-[2-(4-methylpiperidin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 3238521

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide (CID 121062645) is N-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1ccc(C(=O)NCCNC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The InChIKey is ZHYAKKXAQORFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-2-34-22-14-11-18-6-3-4-7-21(18)24(22)27(33)30-20-12-9-19(10-13-20)25(31)28-15-16-29-26(32)23-8-5-17-35-23/h3-4,6-7,9-14,23H,2,5,8,15-17H2,1H3,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of N-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
N-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 3.52, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(2-ethoxynaphthalene-1-carbonyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 121062645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).