[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium

C22H29N2O3+ — CID 8694028

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
SMILESCOc1cc(C[NH+](C)[C@H](C)C(=O)NC2CC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-16(22(25)23-19-10-11-19)24(2)14-18-9-12-20(21(13-18)26-3)27-15-17-7-5-4-6-8-17/h4-9,12-13,16,19H,10-11,14-15H2,1-3H3,(H,23,25)/p+1/t16-/m1/s1
InChIKeyLVCNRCIBLCWSES-MRXNPFEDSA-O
MW369.49 g/mol
LogP1.96
Rot. Bonds9

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium (PubChem CID 8694028) has the molecular formula C22H29N2O3+ and a molecular weight of 369.49 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
PubChem CID8694028
Molecular FormulaC22H29N2O3+
Molecular Weight369.49 g/mol
Exact Mass369.22
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
SMILESCOc1cc(C[NH+](C)[C@H](C)C(=O)NC2CC2)ccc1OCc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-16(22(25)23-19-10-11-19)24(2)14-18-9-12-20(21(13-18)26-3)27-15-17-7-5-4-6-8-17/h4-9,12-13,16,19H,10-11,14-15H2,1-3H3,(H,23,25)/p+1/t16-/m1/s1
InChIKeyLVCNRCIBLCWSES-MRXNPFEDSA-O
XLogP1.96
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium with MolForge

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Related Compounds

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8774013
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8694030
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 8681786
(3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8694080
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8793180
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8924053
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 9494600
(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium
CID 9136792
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
(4-ethoxy-3-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]azanium
CID 9494704
3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55883350
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium (CID 8694028) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium is COc1cc(C[NH+](C)[C@H](C)C(=O)NC2CC2)ccc1OCc1ccccc1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
The InChIKey is LVCNRCIBLCWSES-MRXNPFEDSA-O. The full InChI is InChI=1S/C22H28N2O3/c1-16(22(25)23-19-10-11-19)24(2)14-18-9-12-20(21(13-18)26-3)27-15-17-7-5-4-6-8-17/h4-9,12-13,16,19H,10-11,14-15H2,1-3H3,(H,23,25)/p+1/t16-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium has a molecular weight of 369.49 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 8694028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).