N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide

C21H26N2O4 — CID 55882264

IUPACN-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C21H26N2O4/c1-14(2)16-7-6-8-17(13-16)27-15(3)21(25)23-18-9-4-5-10-19(18)26-12-11-20(22)24/h4-10,13-15H,11-12H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyPIZQBGUIGWLENP-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.47
Rot. Bonds9

About N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide

N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide (PubChem CID 55882264) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
PubChem CID55882264
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C21H26N2O4/c1-14(2)16-7-6-8-17(13-16)27-15(3)21(25)23-18-9-4-5-10-19(18)26-12-11-20(22)24/h4-10,13-15H,11-12H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyPIZQBGUIGWLENP-UHFFFAOYSA-N
XLogP3.47
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
CID 43712567
(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
CID 61178634
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
CID 55796411
(2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 1177379
2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 3670954
N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17087052
N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 16794467
2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 19203871
N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 17087061
(2R)-2-(3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 890147

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide (CID 55882264) is N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide is CC(Oc1cccc(C(C)C)c1)C(=O)Nc1ccccc1OCCC(N)=O.
What is the InChIKey of N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide?
The InChIKey is PIZQBGUIGWLENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14(2)16-7-6-8-17(13-16)27-15(3)21(25)23-18-9-4-5-10-19(18)26-12-11-20(22)24/h4-10,13-15H,11-12H2,1-3H3,(H2,22,24)(H,23,25).
What are the key properties of N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide?
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide has a molecular weight of 370.45 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 55882264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).