N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide

C22H29N3O3 — CID 55698400

IUPACN-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)NC(C)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)14-21(27)24-18-8-10-19(11-9-18)25-22(28)23-16(3)4-5-17-6-12-20(26)13-7-17/h6-13,15-16,26H,4-5,14H2,1-3H3,(H,24,27)(H2,23,25,28)
InChIKeyJQKHHLWDOTWYPI-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.52
Rot. Bonds8

About N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide

N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide (PubChem CID 55698400) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide
PubChem CID55698400
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)NC(C)CCc2ccc(O)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)14-21(27)24-18-8-10-19(11-9-18)25-22(28)23-16(3)4-5-17-6-12-20(26)13-7-17/h6-13,15-16,26H,4-5,14H2,1-3H3,(H,24,27)(H2,23,25,28)
InChIKeyJQKHHLWDOTWYPI-UHFFFAOYSA-N
XLogP4.52
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
1-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 51945508
1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 86947726
2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95132885
2-methyl-N-[4-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945465
2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945466
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303
1-(4-hydroxyphenyl)-3-octatriacontan-2-ylurea
CID 70999279
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
1-(2-tert-butylphenyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 168974121
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111438069
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide (CID 55698400) is N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(NC(=O)NC(C)CCc2ccc(O)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide?
The InChIKey is JQKHHLWDOTWYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)14-21(27)24-18-8-10-19(11-9-18)25-22(28)23-16(3)4-5-17-6-12-20(26)13-7-17/h6-13,15-16,26H,4-5,14H2,1-3H3,(H,24,27)(H2,23,25,28).
What are the key properties of N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide?
N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide has a molecular weight of 383.49 g/mol, XLogP of 4.52, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 55698400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).