N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline

C23H31NO — CID 129049206

IUPACN-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline
SMILESC=C(CC)Nc1c(COc2ccc(CC)cc2C)cccc1C(C)C
InChIInChI=1S/C23H31NO/c1-7-18(6)24-23-20(10-9-11-21(23)16(3)4)15-25-22-13-12-19(8-2)14-17(22)5/h9-14,16,24H,6-8,15H2,1-5H3
InChIKeyMTIJWMKLNQYHNP-UHFFFAOYSA-N
MW337.51 g/mol
LogP6.60
Rot. Bonds8

About N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline

N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline (PubChem CID 129049206) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline.

Molecular Properties

Compound NameN-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline
PubChem CID129049206
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC NameN-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline
SMILESC=C(CC)Nc1c(COc2ccc(CC)cc2C)cccc1C(C)C
InChIInChI=1S/C23H31NO/c1-7-18(6)24-23-20(10-9-11-21(23)16(3)4)15-25-22-13-12-19(8-2)14-17(22)5/h9-14,16,24H,6-8,15H2,1-5H3
InChIKeyMTIJWMKLNQYHNP-UHFFFAOYSA-N
XLogP6.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-methylphenyl]propanethioamide
CID 126588003
N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide
CID 126587999
1-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylphenyl]-1-hydroxy-3-methylurea
CID 126587966
ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126588557
N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 126588301
O-methyl N-[2-ethenyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate
CID 126515922
O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]carbamothioate
CID 126515839
N-[1-(difluoromethoxy)ethenyl]-4-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]aniline
CID 126515849
1-[3-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126589307
difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589148
1-[5-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515823
1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515913

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline?
The IUPAC name of N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline (CID 129049206) is N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline.
What is the SMILES notation for N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline?
The canonical SMILES for N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline is C=C(CC)Nc1c(COc2ccc(CC)cc2C)cccc1C(C)C.
What is the InChIKey of N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline?
The InChIKey is MTIJWMKLNQYHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-7-18(6)24-23-20(10-9-11-21(23)16(3)4)15-25-22-13-12-19(8-2)14-17(22)5/h9-14,16,24H,6-8,15H2,1-5H3.
What are the key properties of N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline?
N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline has a molecular weight of 337.51 g/mol, XLogP of 6.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylaniline is sourced from PubChem (CID 129049206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).