propyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate

C20H29N3O2 — CID 19429531

IUPACpropyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate
SMILESCCCOC(=O)Cc1ccc(C(C)(C)NC(CC)n2ccnc2)cc1
InChIInChI=1S/C20H29N3O2/c1-5-13-25-19(24)14-16-7-9-17(10-8-16)20(3,4)22-18(6-2)23-12-11-21-15-23/h7-12,15,18,22H,5-6,13-14H2,1-4H3
InChIKeyPYPUIYCQNNMSSZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.81
Rot. Bonds9

About propyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate

propyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate (PubChem CID 19429531) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is propyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate.

Molecular Properties

Compound Namepropyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate
PubChem CID19429531
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Namepropyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate
SMILESCCCOC(=O)Cc1ccc(C(C)(C)NC(CC)n2ccnc2)cc1
InChIInChI=1S/C20H29N3O2/c1-5-13-25-19(24)14-16-7-9-17(10-8-16)20(3,4)22-18(6-2)23-12-11-21-15-23/h7-12,15,18,22H,5-6,13-14H2,1-4H3
InChIKeyPYPUIYCQNNMSSZ-UHFFFAOYSA-N
XLogP3.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 2-[4-[1-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate
CID 57219853
propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate
CID 19429540
propyl 2-(4-butylphenyl)acetate
CID 112724824
ethyl 2-fluoro-2-imidazol-1-ylacetate
CID 79885931
propyl (2R)-2-fluoro-2-(4-methylphenyl)acetate;propyl (2S)-2-hydroxy-2-(4-methylphenyl)acetate;propyl 2-(4-methylphenyl)acetate
CID 158512337
diethyl 2-imidazol-1-ylpropanedioate
CID 12742662
propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
CID 14856730
dimethyl 2-imidazol-1-ylbutanedioate
CID 10081893
propyl 8-imidazol-1-yloctanoate
CID 54366798
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
benzyl 2-imidazol-1-ylhexanoate
CID 86740497
4-[2-(4-methylphenyl)acetyl]oxybutanoic acid
CID 126736407

Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate?
The IUPAC name of propyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate (CID 19429531) is propyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate.
What is the SMILES notation for propyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate?
The canonical SMILES for propyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate is CCCOC(=O)Cc1ccc(C(C)(C)NC(CC)n2ccnc2)cc1.
What is the InChIKey of propyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate?
The InChIKey is PYPUIYCQNNMSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-5-13-25-19(24)14-16-7-9-17(10-8-16)20(3,4)22-18(6-2)23-12-11-21-15-23/h7-12,15,18,22H,5-6,13-14H2,1-4H3.
What are the key properties of propyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate?
propyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate has a molecular weight of 343.47 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate is sourced from PubChem (CID 19429531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).