3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide

C20H24N2O2 — CID 119950843

IUPAC3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide
SMILESNC(CC(=O)N(Cc1cccc(O)c1)CC1CC1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c21-19(17-6-2-1-3-7-17)12-20(24)22(13-15-9-10-15)14-16-5-4-8-18(23)11-16/h1-8,11,15,19,23H,9-10,12-14,21H2
InChIKeyLEDDFAUEHXYLMT-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.22
Rot. Bonds7

About 3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide

3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide (PubChem CID 119950843) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide
PubChem CID119950843
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide
SMILESNC(CC(=O)N(Cc1cccc(O)c1)CC1CC1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c21-19(17-6-2-1-3-7-17)12-20(24)22(13-15-9-10-15)14-16-5-4-8-18(23)11-16/h1-8,11,15,19,23H,9-10,12-14,21H2
InChIKeyLEDDFAUEHXYLMT-UHFFFAOYSA-N
XLogP3.22
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide (CID 119950843) is 3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide is NC(CC(=O)N(Cc1cccc(O)c1)CC1CC1)c1ccccc1.
What is the InChIKey of 3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide?
The InChIKey is LEDDFAUEHXYLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-19(17-6-2-1-3-7-17)12-20(24)22(13-15-9-10-15)14-16-5-4-8-18(23)11-16/h1-8,11,15,19,23H,9-10,12-14,21H2.
What are the key properties of 3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide?
3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide has a molecular weight of 324.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 119950843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).