N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide

C18H24N4O — CID 95121509

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CNCc2cnc(C)cn2)cc1
InChIInChI=1S/C18H24N4O/c1-4-13(2)15-5-7-16(8-6-15)22-18(23)12-19-10-17-11-20-14(3)9-21-17/h5-9,11,13,19H,4,10,12H2,1-3H3,(H,22,23)/t13-/m0/s1
InChIKeyNEVXUNNKHAORCC-ZDUSSCGKSA-N
MW312.42 g/mol
LogP3.03
Rot. Bonds7

About N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide

N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide (PubChem CID 95121509) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
PubChem CID95121509
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CNCc2cnc(C)cn2)cc1
InChIInChI=1S/C18H24N4O/c1-4-13(2)15-5-7-16(8-6-15)22-18(23)12-19-10-17-11-20-14(3)9-21-17/h5-9,11,13,19H,4,10,12H2,1-3H3,(H,22,23)/t13-/m0/s1
InChIKeyNEVXUNNKHAORCC-ZDUSSCGKSA-N
XLogP3.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
CID 62846100
N-(4-methoxyphenyl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
CID 62845557
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
N-[4-[(2R)-butan-2-yl]phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2088078
2-[[5-[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 25369910
2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7666250
N-[4-[(2S)-butan-2-yl]phenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917865
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-butan-2-ylphenyl)acetamide
CID 78801247
ethyl 4-(4-butan-2-ylanilino)-4-oxobutanoate
CID 60637740
N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine
CID 62848270

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide (CID 95121509) is N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide is CC[C@H](C)c1ccc(NC(=O)CNCc2cnc(C)cn2)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide?
The InChIKey is NEVXUNNKHAORCC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-13(2)15-5-7-16(8-6-15)22-18(23)12-19-10-17-11-20-14(3)9-21-17/h5-9,11,13,19H,4,10,12H2,1-3H3,(H,22,23)/t13-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide?
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide has a molecular weight of 312.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-2-[(5-methylpyrazin-2-yl)methylamino]acetamide is sourced from PubChem (CID 95121509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).