N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide

C27H31N3O3 — CID 43811744

IUPACN-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(O)cc1)N(C(=O)Cc1c[nH]c2ccccc12)C1CC1
InChIInChI=1S/C27H31N3O3/c31-22-14-10-18(11-15-22)26(27(33)29-20-6-2-1-3-7-20)30(21-12-13-21)25(32)16-19-17-28-24-9-5-4-8-23(19)24/h4-5,8-11,14-15,17,20-21,26,28,31H,1-3,6-7,12-13,16H2,(H,29,33)
InChIKeySQUQMPLYEUSCGU-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.60
Rot. Bonds7

About N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide

N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide (PubChem CID 43811744) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
PubChem CID43811744
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(O)cc1)N(C(=O)Cc1c[nH]c2ccccc12)C1CC1
InChIInChI=1S/C27H31N3O3/c31-22-14-10-18(11-15-22)26(27(33)29-20-6-2-1-3-7-20)30(21-12-13-21)25(32)16-19-17-28-24-9-5-4-8-23(19)24/h4-5,8-11,14-15,17,20-21,26,28,31H,1-3,6-7,12-13,16H2,(H,29,33)
InChIKeySQUQMPLYEUSCGU-UHFFFAOYSA-N
XLogP4.60
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide
CID 25308956
(2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide
CID 1432663
(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-4-ylacetamide
CID 25309103
N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 3201979
2-[1,3-benzodioxol-5-yl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-phenylacetamide
CID 3190705
N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide
CID 3190827
2-[1,3-benzodioxol-5-yl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 3190745
N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide
CID 3190749
(2S)-2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(furan-2-yl)acetamide
CID 25309476
(2R)-N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 25309081
2-[1,3-benzodioxol-5-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 3190751
(2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide
CID 25309286

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide (CID 43811744) is N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide is O=C(NC1CCCCC1)C(c1ccc(O)cc1)N(C(=O)Cc1c[nH]c2ccccc12)C1CC1.
What is the InChIKey of N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is SQUQMPLYEUSCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c31-22-14-10-18(11-15-22)26(27(33)29-20-6-2-1-3-7-20)30(21-12-13-21)25(32)16-19-17-28-24-9-5-4-8-23(19)24/h4-5,8-11,14-15,17,20-21,26,28,31H,1-3,6-7,12-13,16H2,(H,29,33).
What are the key properties of N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide?
N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 445.56 g/mol, XLogP of 4.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[cyclopropyl-[2-(1H-indol-3-yl)acetyl]amino]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 43811744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).