(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide

C16H26N4O2 — CID 119885345

IUPAC(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1
InChIInChI=1S/C16H26N4O2/c1-11(2)9-14(17)16(22)19-13-7-5-12(6-8-13)18-15(21)10-20(3)4/h5-8,11,14H,9-10,17H2,1-4H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyMUSCWMDILIKNLB-AWEZNQCLSA-N
MW306.41 g/mol
LogP1.50
Rot. Bonds7

About (2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide

(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide (PubChem CID 119885345) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide
PubChem CID119885345
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1
InChIInChI=1S/C16H26N4O2/c1-11(2)9-14(17)16(22)19-13-7-5-12(6-8-13)18-15(21)10-20(3)4/h5-8,11,14H,9-10,17H2,1-4H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyMUSCWMDILIKNLB-AWEZNQCLSA-N
XLogP1.50
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
(2R)-2-amino-N-[4-[hydroxy(oxido)amino]phenyl]-4-methylpentanamide
CID 163140404
(2S)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide;dihydrochloride
CID 119844261
(2S)-N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-2-amino-4-methylpentanamide
CID 119792493
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804
(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 22691065
(2R)-2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 104902669
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120800496
(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7269396
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide
CID 115377243

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide (CID 119885345) is (2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide?
The InChIKey is MUSCWMDILIKNLB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)9-14(17)16(22)19-13-7-5-12(6-8-13)18-15(21)10-20(3)4/h5-8,11,14H,9-10,17H2,1-4H3,(H,18,21)(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide?
(2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide has a molecular weight of 306.41 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-4-methylpentanamide is sourced from PubChem (CID 119885345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).