N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide

C15H24N2O2 — CID 120504695

IUPACN-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccccc1CC(C)CC(=O)N[C@@H](C)CN
InChIInChI=1S/C15H24N2O2/c1-11(9-15(18)17-12(2)10-16)8-13-6-4-5-7-14(13)19-3/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18)/t11?,12-/m0/s1
InChIKeyFZROGMYFSFVOFY-KIYNQFGBSA-N
MW264.37 g/mol
LogP1.73
Rot. Bonds7

About N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide

N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide (PubChem CID 120504695) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide
PubChem CID120504695
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccccc1CC(C)CC(=O)N[C@@H](C)CN
InChIInChI=1S/C15H24N2O2/c1-11(9-15(18)17-12(2)10-16)8-13-6-4-5-7-14(13)19-3/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18)/t11?,12-/m0/s1
InChIKeyFZROGMYFSFVOFY-KIYNQFGBSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
N-[(2S)-1-aminopropan-2-yl]-2-(2-methoxyanilino)acetamide
CID 120505863
N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 55033188
N-[1-(2-methoxyphenyl)propan-2-yl]-3-oxobutanamide
CID 54867173
N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119565114
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide
CID 119474760
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036
N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119474759
3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]propanamide
CID 54867469
N-(2-amino-5-methoxyphenyl)-4-(2-methoxyphenyl)-3-methylbutanamide
CID 119420675
3-amino-4-[1-(2-methoxyphenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896685

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide (CID 120504695) is N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide is COc1ccccc1CC(C)CC(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide?
The InChIKey is FZROGMYFSFVOFY-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(9-15(18)17-12(2)10-16)8-13-6-4-5-7-14(13)19-3/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18)/t11?,12-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide?
N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 120504695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).