N-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide

C17H28N4O2 — CID 95145437

IUPACN-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide
SMILESCC[C@@H](C)N(C)CCNC(=O)Nc1cc(NC(C)=O)ccc1C
InChIInChI=1S/C17H28N4O2/c1-6-13(3)21(5)10-9-18-17(23)20-16-11-15(19-14(4)22)8-7-12(16)2/h7-8,11,13H,6,9-10H2,1-5H3,(H,19,22)(H2,18,20,23)/t13-/m1/s1
InChIKeyDXLDVFMBIMVKKV-CYBMUJFWSA-N
MW320.44 g/mol
LogP2.81
Rot. Bonds7

About N-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide

N-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide (PubChem CID 95145437) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide
PubChem CID95145437
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide
SMILESCC[C@@H](C)N(C)CCNC(=O)Nc1cc(NC(C)=O)ccc1C
InChIInChI=1S/C17H28N4O2/c1-6-13(3)21(5)10-9-18-17(23)20-16-11-15(19-14(4)22)8-7-12(16)2/h7-8,11,13H,6,9-10H2,1-5H3,(H,19,22)(H2,18,20,23)/t13-/m1/s1
InChIKeyDXLDVFMBIMVKKV-CYBMUJFWSA-N
XLogP2.81
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea
CID 51108571
N-(3-acetamido-4-methylphenyl)-2-bromobutanamide
CID 55125591
(2S,3S)-N-(5-acetamido-2-methylphenyl)-2-amino-3-methylpentanamide
CID 61154615
1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea
CID 4569722
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 94177222
N-(5-acetamido-2-methylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853430
N-(5-acetamido-2-methylphenyl)-2-chloropropanamide
CID 43696197
N-[3-[[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]carbamoylamino]-4-methylphenyl]acetamide
CID 125157933
(2S)-N-(3-acetamido-4-methylphenyl)-2-aminobutanamide
CID 79024532
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3-methylpentanamide
CID 61174777
N-(5-acetamido-2-methylphenyl)-3-methylbutanamide
CID 47191002
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide (CID 95145437) is N-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide is CC[C@@H](C)N(C)CCNC(=O)Nc1cc(NC(C)=O)ccc1C.
What is the InChIKey of N-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide?
The InChIKey is DXLDVFMBIMVKKV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-6-13(3)21(5)10-9-18-17(23)20-16-11-15(19-14(4)22)8-7-12(16)2/h7-8,11,13H,6,9-10H2,1-5H3,(H,19,22)(H2,18,20,23)/t13-/m1/s1.
What are the key properties of N-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide?
N-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide has a molecular weight of 320.44 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[(2R)-butan-2-yl]-methylamino]ethylcarbamoylamino]-4-methylphenyl]acetamide is sourced from PubChem (CID 95145437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).