3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide

C23H28ClN3O3 — CID 170578485

IUPAC3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide
SMILESCC(=O)NC1(C(C)=O)CC(C(=O)N[C@@H](c2cc(Cl)cc3[nH]ccc23)C2CCCC2)C1
InChIInChI=1S/C23H28ClN3O3/c1-13(28)23(27-14(2)29)11-16(12-23)22(30)26-21(15-5-3-4-6-15)19-9-17(24)10-20-18(19)7-8-25-20/h7-10,15-16,21,25H,3-6,11-12H2,1-2H3,(H,26,30)(H,27,29)/t16?,21-,23?/m1/s1
InChIKeyNEGJVXHQYXHKDP-FCRSDJTPSA-N
MW429.95 g/mol
LogP4.04
Rot. Bonds6

About 3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide

3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide (PubChem CID 170578485) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide
PubChem CID170578485
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide
SMILESCC(=O)NC1(C(C)=O)CC(C(=O)N[C@@H](c2cc(Cl)cc3[nH]ccc23)C2CCCC2)C1
InChIInChI=1S/C23H28ClN3O3/c1-13(28)23(27-14(2)29)11-16(12-23)22(30)26-21(15-5-3-4-6-15)19-9-17(24)10-20-18(19)7-8-25-20/h7-10,15-16,21,25H,3-6,11-12H2,1-2H3,(H,26,30)(H,27,29)/t16?,21-,23?/m1/s1
InChIKeyNEGJVXHQYXHKDP-FCRSDJTPSA-N
XLogP4.04
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide (CID 170578485) is 3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide is CC(=O)NC1(C(C)=O)CC(C(=O)N[C@@H](c2cc(Cl)cc3[nH]ccc23)C2CCCC2)C1.
What is the InChIKey of 3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide?
The InChIKey is NEGJVXHQYXHKDP-FCRSDJTPSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-13(28)23(27-14(2)29)11-16(12-23)22(30)26-21(15-5-3-4-6-15)19-9-17(24)10-20-18(19)7-8-25-20/h7-10,15-16,21,25H,3-6,11-12H2,1-2H3,(H,26,30)(H,27,29)/t16?,21-,23?/m1/s1.
What are the key properties of 3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide?
3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide has a molecular weight of 429.95 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-acetyl-N-[(R)-(6-chloro-1H-indol-4-yl)-cyclopentylmethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 170578485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).