N-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide

C19H23NO — CID 176925575

IUPACN-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide
SMILESCc1ccc(-c2ccc(C)c(CC[C@H](C)NC=O)c2)cc1
InChIInChI=1S/C19H23NO/c1-14-4-8-17(9-5-14)19-10-6-15(2)18(12-19)11-7-16(3)20-13-21/h4-6,8-10,12-13,16H,7,11H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyNHYUYFRENZFLGH-INIZCTEOSA-N
MW281.40 g/mol
LogP4.04
Rot. Bonds6

About N-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide

N-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide (PubChem CID 176925575) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide
PubChem CID176925575
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide
SMILESCc1ccc(-c2ccc(C)c(CC[C@H](C)NC=O)c2)cc1
InChIInChI=1S/C19H23NO/c1-14-4-8-17(9-5-14)19-10-6-15(2)18(12-19)11-7-16(3)20-13-21/h4-6,8-10,12-13,16H,7,11H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyNHYUYFRENZFLGH-INIZCTEOSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide?
The IUPAC name of N-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide (CID 176925575) is N-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide?
The canonical SMILES for N-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide is Cc1ccc(-c2ccc(C)c(CC[C@H](C)NC=O)c2)cc1.
What is the InChIKey of N-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide?
The InChIKey is NHYUYFRENZFLGH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-4-8-17(9-5-14)19-10-6-15(2)18(12-19)11-7-16(3)20-13-21/h4-6,8-10,12-13,16H,7,11H2,1-3H3,(H,20,21)/t16-/m0/s1.
What are the key properties of N-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide?
N-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide has a molecular weight of 281.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide is sourced from PubChem (CID 176925575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).