N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide

C19H24N4O2 — CID 131635882

IUPACN-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NC(CN)c2ccccc2)ccc1C1CNNC1
InChIInChI=1S/C19H24N4O2/c1-25-18-9-14(7-8-16(18)15-11-21-22-12-15)19(24)23-17(10-20)13-5-3-2-4-6-13/h2-9,15,17,21-22H,10-12,20H2,1H3,(H,23,24)
InChIKeyDROUTEUKISYAAI-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.32
Rot. Bonds6

About N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide

N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide (PubChem CID 131635882) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide
PubChem CID131635882
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NC(CN)c2ccccc2)ccc1C1CNNC1
InChIInChI=1S/C19H24N4O2/c1-25-18-9-14(7-8-16(18)15-11-21-22-12-15)19(24)23-17(10-20)13-5-3-2-4-6-13/h2-9,15,17,21-22H,10-12,20H2,1H3,(H,23,24)
InChIKeyDROUTEUKISYAAI-UHFFFAOYSA-N
XLogP1.32
TPSA88.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide
CID 131635924
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635906
N-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131636065
N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
CID 81289414
N-[1-(2,6-difluorophenyl)ethyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131636002
N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide
CID 63753586
N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 65432150
4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331
[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8936252
3-(1-hydroxypropyl)-N-(1-phenylethyl)-4-pyrazolidin-4-ylbenzamide
CID 131636104
3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide
CID 63182178
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
CID 166366125

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide (CID 131635882) is N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)NC(CN)c2ccccc2)ccc1C1CNNC1.
What is the InChIKey of N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The InChIKey is DROUTEUKISYAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-18-9-14(7-8-16(18)15-11-21-22-12-15)19(24)23-17(10-20)13-5-3-2-4-6-13/h2-9,15,17,21-22H,10-12,20H2,1H3,(H,23,24).
What are the key properties of N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide?
N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide has a molecular weight of 340.43 g/mol, XLogP of 1.32, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131635882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).