N-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide

C15H21NO2 — CID 125472773

IUPACN-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide
SMILESCC[C@@H](Cc1ccc(C2CC2)c(OC)c1)NC=O
InChIInChI=1S/C15H21NO2/c1-3-13(16-10-17)8-11-4-7-14(12-5-6-12)15(9-11)18-2/h4,7,9-10,12-13H,3,5-6,8H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyCFLRBJWPDVHNHI-ZDUSSCGKSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds7

About N-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide

N-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide (PubChem CID 125472773) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide
PubChem CID125472773
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide
SMILESCC[C@@H](Cc1ccc(C2CC2)c(OC)c1)NC=O
InChIInChI=1S/C15H21NO2/c1-3-13(16-10-17)8-11-4-7-14(12-5-6-12)15(9-11)18-2/h4,7,9-10,12-13H,3,5-6,8H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyCFLRBJWPDVHNHI-ZDUSSCGKSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide?
The IUPAC name of N-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide (CID 125472773) is N-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide?
The canonical SMILES for N-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide is CC[C@@H](Cc1ccc(C2CC2)c(OC)c1)NC=O.
What is the InChIKey of N-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide?
The InChIKey is CFLRBJWPDVHNHI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-13(16-10-17)8-11-4-7-14(12-5-6-12)15(9-11)18-2/h4,7,9-10,12-13H,3,5-6,8H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide?
N-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide has a molecular weight of 247.34 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-cyclopropyl-3-methoxyphenyl)butan-2-yl]formamide is sourced from PubChem (CID 125472773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).