1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide

C20H28N2O3 — CID 108980460

IUPAC1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(C(=O)N3CCCCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-15(2)25-17-9-7-16(8-10-17)21-18(23)20(11-12-20)19(24)22-13-5-3-4-6-14-22/h7-10,15H,3-6,11-14H2,1-2H3,(H,21,23)
InChIKeyPAJZWYFXUGTWTF-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.60
Rot. Bonds5

About 1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide

1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide (PubChem CID 108980460) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
PubChem CID108980460
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(C(=O)N3CCCCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-15(2)25-17-9-7-16(8-10-17)21-18(23)20(11-12-20)19(24)22-13-5-3-4-6-14-22/h7-10,15H,3-6,11-14H2,1-2H3,(H,21,23)
InChIKeyPAJZWYFXUGTWTF-UHFFFAOYSA-N
XLogP3.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971682
1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108972257
1-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]cyclopropane-1-carboxamide
CID 108980477
1-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974349
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
N-(3-methoxyphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972063
1-(azepane-1-carbonyl)-N-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 108980503
1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 100729464
1-N'-(3-acetylphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983261
1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982309
2-(piperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 109132303
N-[4-(piperidine-1-carbonyl)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845235

Frequently Asked Questions

What is the IUPAC name of 1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide (CID 108980460) is 1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide is CC(C)Oc1ccc(NC(=O)C2(C(=O)N3CCCCCC3)CC2)cc1.
What is the InChIKey of 1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is PAJZWYFXUGTWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15(2)25-17-9-7-16(8-10-17)21-18(23)20(11-12-20)19(24)22-13-5-3-4-6-14-22/h7-10,15H,3-6,11-14H2,1-2H3,(H,21,23).
What are the key properties of 1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide?
1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108980460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).