(2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide

C16H24N4O3 — CID 131922859

IUPAC(2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide
SMILESCC[C@@H](NC(C)=O)C(=O)Nc1cccc(NC(=O)CN(C)C)c1
InChIInChI=1S/C16H24N4O3/c1-5-14(17-11(2)21)16(23)19-13-8-6-7-12(9-13)18-15(22)10-20(3)4/h6-9,14H,5,10H2,1-4H3,(H,17,21)(H,18,22)(H,19,23)/t14-/m1/s1
InChIKeyLTSKVWCULSYUAT-CQSZACIVSA-N
MW320.39 g/mol
LogP1.04
Rot. Bonds7

About (2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide

(2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide (PubChem CID 131922859) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide
PubChem CID131922859
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide
SMILESCC[C@@H](NC(C)=O)C(=O)Nc1cccc(NC(=O)CN(C)C)c1
InChIInChI=1S/C16H24N4O3/c1-5-14(17-11(2)21)16(23)19-13-8-6-7-12(9-13)18-15(22)10-20(3)4/h6-9,14H,5,10H2,1-4H3,(H,17,21)(H,18,22)(H,19,23)/t14-/m1/s1
InChIKeyLTSKVWCULSYUAT-CQSZACIVSA-N
XLogP1.04
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-(3-hydroxyphenyl)acetamide
CID 103846180
N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide
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2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide
CID 107769444
2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide
CID 107769022
N-(3-acetamidophenyl)-2-[butyl(methyl)amino]acetamide
CID 27068519
N-(3-acetamidophenyl)-2-[butan-2-yl(methylsulfonyl)amino]acetamide
CID 113148772
N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide
CID 62728455
2-(dimethylamino)-N-[3-[1-(2-methylpyrazol-3-yl)propylcarbamoylamino]phenyl]acetamide
CID 72892647
2-(dimethylamino)-N-(3-propoxyphenyl)acetamide
CID 54843924
N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62851264
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride
CID 70000675

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide?
The IUPAC name of (2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide (CID 131922859) is (2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide?
The canonical SMILES for (2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide is CC[C@@H](NC(C)=O)C(=O)Nc1cccc(NC(=O)CN(C)C)c1.
What is the InChIKey of (2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide?
The InChIKey is LTSKVWCULSYUAT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-5-14(17-11(2)21)16(23)19-13-8-6-7-12(9-13)18-15(22)10-20(3)4/h6-9,14H,5,10H2,1-4H3,(H,17,21)(H,18,22)(H,19,23)/t14-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide?
(2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide has a molecular weight of 320.39 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 131922859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).