2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide

C23H32N2O3 — CID 89317618

IUPAC2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide
SMILESCOc1c(C)c(-c2ccc(NC(C)C)cc2)c(OC)c(C)c1C(=O)NC(C)C
InChIInChI=1S/C23H32N2O3/c1-13(2)24-18-11-9-17(10-12-18)19-15(5)22(28-8)20(16(6)21(19)27-7)23(26)25-14(3)4/h9-14,24H,1-8H3,(H,25,26)
InChIKeyVNUJJYVFGPVMSX-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.95
Rot. Bonds7

About 2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide

2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide (PubChem CID 89317618) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide
PubChem CID89317618
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide
SMILESCOc1c(C)c(-c2ccc(NC(C)C)cc2)c(OC)c(C)c1C(=O)NC(C)C
InChIInChI=1S/C23H32N2O3/c1-13(2)24-18-11-9-17(10-12-18)19-15(5)22(28-8)20(16(6)21(19)27-7)23(26)25-14(3)4/h9-14,24H,1-8H3,(H,25,26)
InChIKeyVNUJJYVFGPVMSX-UHFFFAOYSA-N
XLogP4.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2E)-2-[[2,5-dimethoxy-3,6-dimethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]methylidene]-N-propan-2-ylbutanamide
CID 59031269
3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-ynoic acid
CID 59031301
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide
CID 82056734
2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide
CID 114830947
6-methoxy-N-propan-2-ylpyridazine-3-carboxamide
CID 129166823
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
3-[4-(propan-2-ylamino)phenyl]butanoic acid
CID 104503331
5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
CID 110762952
methyl (2S)-2-(4-methylanilino)propanoate
CID 6940435
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
4-(4-methylphenoxy)-N-propan-2-ylaniline
CID 21043850

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide?
The IUPAC name of 2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide (CID 89317618) is 2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide?
The canonical SMILES for 2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide is COc1c(C)c(-c2ccc(NC(C)C)cc2)c(OC)c(C)c1C(=O)NC(C)C.
What is the InChIKey of 2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide?
The InChIKey is VNUJJYVFGPVMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-13(2)24-18-11-9-17(10-12-18)19-15(5)22(28-8)20(16(6)21(19)27-7)23(26)25-14(3)4/h9-14,24H,1-8H3,(H,25,26).
What are the key properties of 2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide?
2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide has a molecular weight of 384.52 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-3,6-dimethyl-N-propan-2-yl-4-[4-(propan-2-ylamino)phenyl]benzamide is sourced from PubChem (CID 89317618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).