N-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide

C23H37N3O4 — CID 143914519

IUPACN-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide
SMILESCOC(O)CN(C(=O)CCOCCc1cccc(/C(N)=C/N)c1)C1CCCCCC1
InChIInChI=1S/C23H37N3O4/c1-29-23(28)17-26(20-9-4-2-3-5-10-20)22(27)12-14-30-13-11-18-7-6-8-19(15-18)21(25)16-24/h6-8,15-16,20,23,28H,2-5,9-14,17,24-25H2,1H3/b21-16-
InChIKeyQDQXRUCREFQNJL-PGMHBOJBSA-N
MW419.57 g/mol
LogP2.37
Rot. Bonds11

About N-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide

N-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide (PubChem CID 143914519) has the molecular formula C23H37N3O4 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide
PubChem CID143914519
Molecular FormulaC23H37N3O4
Molecular Weight419.57 g/mol
Exact Mass419.28
IUPAC NameN-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide
SMILESCOC(O)CN(C(=O)CCOCCc1cccc(/C(N)=C/N)c1)C1CCCCCC1
InChIInChI=1S/C23H37N3O4/c1-29-23(28)17-26(20-9-4-2-3-5-10-20)22(27)12-14-30-13-11-18-7-6-8-19(15-18)21(25)16-24/h6-8,15-16,20,23,28H,2-5,9-14,17,24-25H2,1H3/b21-16-
InChIKeyQDQXRUCREFQNJL-PGMHBOJBSA-N
XLogP2.37
TPSA111.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide?
The IUPAC name of N-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide (CID 143914519) is N-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide.
What is the SMILES notation for N-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide?
The canonical SMILES for N-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide is COC(O)CN(C(=O)CCOCCc1cccc(/C(N)=C/N)c1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide?
The InChIKey is QDQXRUCREFQNJL-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H37N3O4/c1-29-23(28)17-26(20-9-4-2-3-5-10-20)22(27)12-14-30-13-11-18-7-6-8-19(15-18)21(25)16-24/h6-8,15-16,20,23,28H,2-5,9-14,17,24-25H2,1H3/b21-16-.
What are the key properties of N-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide?
N-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide has a molecular weight of 419.57 g/mol, XLogP of 2.37, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[2-[3-[(Z)-1,2-diaminoethenyl]phenyl]ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide is sourced from PubChem (CID 143914519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).