[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium

C16H27N2O2+ — CID 8646266

IUPAC[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
SMILESCC[C@H]([NH2+][C@H](C)C(=O)NC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O2/c1-6-15(13-7-9-14(20-5)10-8-13)18-12(4)16(19)17-11(2)3/h7-12,15,18H,6H2,1-5H3,(H,17,19)/p+1/t12-,15+/m1/s1
InChIKeyPGNAFYWWQHWXCV-DOMZBBRYSA-O
MW279.40 g/mol
LogP1.62
Rot. Bonds7

About [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium

[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium (PubChem CID 8646266) has the molecular formula C16H27N2O2+ and a molecular weight of 279.40 g/mol. Its IUPAC name is [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium.

Molecular Properties

Compound Name[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
PubChem CID8646266
Molecular FormulaC16H27N2O2+
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
SMILESCC[C@H]([NH2+][C@H](C)C(=O)NC(C)C)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O2/c1-6-15(13-7-9-14(20-5)10-8-13)18-12(4)16(19)17-11(2)3/h7-12,15,18H,6H2,1-5H3,(H,17,19)/p+1/t12-,15+/m1/s1
InChIKeyPGNAFYWWQHWXCV-DOMZBBRYSA-O
XLogP1.62
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium with MolForge

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Related Compounds

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
CID 8646200
[(1R)-1-(4-bromophenyl)propyl]-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 8643309
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
CID 8646046
[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium
CID 8646102
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
CID 8646070
2-(4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 154459065
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 8646258
(2S)-2-amino-N-[1-(4-methoxyphenyl)ethyl]butanamide
CID 66196419
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875
(2R)-2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364305
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium?
The IUPAC name of [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium (CID 8646266) is [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium.
What is the SMILES notation for [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium?
The canonical SMILES for [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium is CC[C@H]([NH2+][C@H](C)C(=O)NC(C)C)c1ccc(OC)cc1.
What is the InChIKey of [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium?
The InChIKey is PGNAFYWWQHWXCV-DOMZBBRYSA-O. The full InChI is InChI=1S/C16H26N2O2/c1-6-15(13-7-9-14(20-5)10-8-13)18-12(4)16(19)17-11(2)3/h7-12,15,18H,6H2,1-5H3,(H,17,19)/p+1/t12-,15+/m1/s1.
What are the key properties of [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium?
[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium has a molecular weight of 279.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium is sourced from PubChem (CID 8646266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).