4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide

C25H35N3O2 — CID 86883417

IUPAC4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)CCCc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C25H35N3O2/c1-25(2,3)21-14-12-19(13-15-21)8-7-11-23(29)26-17-20-9-6-10-22(16-20)27-24(30)18-28(4)5/h6,9-10,12-16H,7-8,11,17-18H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyFBLXCTPUZDAUPK-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.12
Rot. Bonds9

About 4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide

4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide (PubChem CID 86883417) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
PubChem CID86883417
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)CCCc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C25H35N3O2/c1-25(2,3)21-14-12-19(13-15-21)8-7-11-23(29)26-17-20-9-6-10-22(16-20)27-24(30)18-28(4)5/h6,9-10,12-16H,7-8,11,17-18H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyFBLXCTPUZDAUPK-UHFFFAOYSA-N
XLogP4.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56553142
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-(3-methylphenoxy)butanamide
CID 55797246
4-(4-chloro-2-methylphenoxy)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
CID 55797087
N-[4-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 55800405
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-methylphenyl)butanamide
CID 87001037
N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide
CID 166195697
3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide
CID 86945175
3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide
CID 71929848
N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 55869460
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide
CID 55797093
4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide
CID 33024025
2-(dimethylamino)-N-[3-[[[ethylamino-[[4-(trifluoromethyl)phenyl]methylamino]methylidene]amino]methyl]phenyl]acetamide
CID 111420341

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide?
The IUPAC name of 4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide (CID 86883417) is 4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide is CN(C)CC(=O)Nc1cccc(CNC(=O)CCCc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide?
The InChIKey is FBLXCTPUZDAUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-25(2,3)21-14-12-19(13-15-21)8-7-11-23(29)26-17-20-9-6-10-22(16-20)27-24(30)18-28(4)5/h6,9-10,12-16H,7-8,11,17-18H2,1-5H3,(H,26,29)(H,27,30).
What are the key properties of 4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide?
4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide has a molecular weight of 409.57 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide is sourced from PubChem (CID 86883417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).