(2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide

C16H27N3O2 — CID 61178895

IUPAC(2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cc(CN(C)C)ccc1OC
InChIInChI=1S/C16H27N3O2/c1-6-11(2)15(17)16(20)18-13-9-12(10-19(3)4)7-8-14(13)21-5/h7-9,11,15H,6,10,17H2,1-5H3,(H,18,20)/t11-,15-/m0/s1
InChIKeyXPYXRVGXUABSIO-NHYWBVRUSA-N
MW293.41 g/mol
LogP2.07
Rot. Bonds7

About (2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide (PubChem CID 61178895) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide
PubChem CID61178895
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cc(CN(C)C)ccc1OC
InChIInChI=1S/C16H27N3O2/c1-6-11(2)15(17)16(20)18-13-9-12(10-19(3)4)7-8-14(13)21-5/h7-9,11,15H,6,10,17H2,1-5H3,(H,18,20)/t11-,15-/m0/s1
InChIKeyXPYXRVGXUABSIO-NHYWBVRUSA-N
XLogP2.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3-methylpentanamide
CID 54967599
3-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-methoxybenzoic acid
CID 63744628
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methoxybenzoic acid
CID 63742251
N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-2-propan-2-yloxyacetamide
CID 115593507
3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide
CID 43703754
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide
CID 112513422
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
5-[(dimethylamino)methyl]-2-methoxy-N-propan-2-ylaniline
CID 43686566

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide (CID 61178895) is (2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1cc(CN(C)C)ccc1OC.
What is the InChIKey of (2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide?
The InChIKey is XPYXRVGXUABSIO-NHYWBVRUSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-6-11(2)15(17)16(20)18-13-9-12(10-19(3)4)7-8-14(13)21-5/h7-9,11,15H,6,10,17H2,1-5H3,(H,18,20)/t11-,15-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide has a molecular weight of 293.41 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide is sourced from PubChem (CID 61178895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).